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Acta Crystallogr Sect E Struct Rep Online. 2010 March 1; 66(Pt 3): m306.
Published online 2010 February 17. doi:  10.1107/S1600536810005611
PMCID: PMC2983606

Bis(N-{bis­[meth­yl(phen­yl)amino]phos­phor­yl}-2,2,2-trichloro­acetamide)di­nitrato­dioxidouranium(VI)

Abstract

In the title compound, [UO2 L 2(NO3)2] {L = N-{bis­[meth­yl(phen­yl)amino]phosphor­yl}-2,2,2-trichloro­acetamide, C16H17Cl3N3O2P}, the UVI ions are eight-coordinated by axial oxido ligands and six equatorial O atoms from the phosphoryl and nitrate groups in a distorted hexa­gonal–bipyramidal geometry. There are disordered fragments in the two coordinating L ligands: the trichloro­methyl group is rotationally disordered between two orientations [occupancy ratio 0.567 (15):0.433 (15)] in one ligand, and a meth­yl(phen­yl)amine fragment is disordered over two conformations [occupancy ratio 0.60 (4):0.40 (4)] in the other ligand. In the crystal structure, intra­molecular N—H(...)O hydrogen bonds between the amine and nitrate groups are observed.

Related literature

For the synthesis and structural investigation of the ligand L, see: Znovjyak et al. (2009 [triangle]). For a uranium(IV)-containing complex with a similar ligand, see: Amirkhanov et al. (1997 [triangle]). For inter­pretation of the coordination polyhedra of uranium ions, see: Keppert (1982 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-66-0m306-scheme1.jpg

Experimental

Crystal data

  • [U(NO3)2O2(C16H17Cl3N3O2P)2]
  • M r = 1235.34
  • Monoclinic, An external file that holds a picture, illustration, etc.
Object name is e-66-0m306-efi1.jpg
  • a = 10.2180 (4) Å
  • b = 16.2228 (6) Å
  • c = 28.4327 (7) Å
  • β = 97.421 (3)°
  • V = 4673.7 (3) Å3
  • Z = 4
  • Mo Kα radiation
  • μ = 3.95 mm−1
  • T = 293 K
  • 0.40 × 0.30 × 0.20 mm

Data collection

  • Oxford Diffraction Xcalibur3 diffractometer
  • Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2006 [triangle]) T min = 0.301, T max = 0.506
  • 24426 measured reflections
  • 10643 independent reflections
  • 7638 reflections with I > 2σ(I)
  • R int = 0.041

Refinement

  • R[F 2 > 2σ(F 2)] = 0.048
  • wR(F 2) = 0.142
  • S = 0.97
  • 10643 reflections
  • 618 parameters
  • 24 restraints
  • H-atom parameters constrained
  • Δρmax = 1.39 e Å−3
  • Δρmin = −1.02 e Å−3

Data collection: CrysAlis CCD (Oxford Diffraction, 2006 [triangle]); cell refinement: CrysAlis RED (Oxford Diffraction, 2006 [triangle]); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 [triangle]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 [triangle]); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997 [triangle]); software used to prepare material for publication: WinGX (Farrugia, 1999 [triangle]).

Table 1
Hydrogen-bond geometry (Å, °)

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810005611/cv2695sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810005611/cv2695Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

supplementary crystallographic information

Comment

Recently, we reported the synthesis and crystal structure of N-{bis[methyl(phenyl)amino]phosphoryl}-2,2,2-trichloroacetamide (L) (Znovjyak et al., 2009). In our ongoing study of complexation properties of L we obtained the title compound, (I), and determined its crystal structure.

In (I) (Fig. 1), the coordination polyhedra of the uranium ions are slightly distorted hexagonal bipyramids (Keppert, 1982) where oxo ligands fill place of axial positions and two oxygen atoms of the phosphoryl groups from two L molecules and four oxygen atoms from two nitrate groups situated in the equatorial positions. The nitrate groups additionally form intramolecular hydrogen bonding with the hydrogen atoms of the N—H groups of the L ligands (Table 1). In the crystal structure of the complex, the phosphoryl group is situated in an anti-position with respect to the carbonyl group as in the crystal structure of the L which was described previously (Znovjyak et al., 2009).

The U—O(oxo ligands) distances are equal to 1.750 (4) Å and 1.756 (4) Å. The U—O(NO3) and U—O(PO) distances fall in the range 2.515 (4)–2.564 (4) Å and 2.352 (4)–2.372 (4) Å, respectively and close to the corresponding values of the uranium complex with similar ligand previously published (Amirkhanov et al., 1997). The coordinated nitrate groups have almost planar triangular structures. The O—N—O angles of the chelate rings (114.6 (5) and 115.1 (5)°) are shorter as compared to other angles O—N—O (121.9 (5)-123.0 (5)°) and bond lengths are slightly distorted: N—O(non-coordinated) and N—O(coordinated) are in the range of 1.198 (7) Å and 1.255 (7)–1.271 (6) Å, respectively. Bond lengths in the fragment C(O)NHP(O) are slightly changed upon complexation. The P—N bond distances between phosphorus atoms and nitrogen atoms of the amine substituents are shortened with respect to observed values in L (1.634 (4)–1.649 (4) Å) and fall in the range 1.621 (5)–1.635 (6) Å, that can be explained by increasing π-donor bonding in the (CH3N)P(O) fragment due to complexation, but this effect is weaken by π-acceptor influence of the phenyl group. The P—N(NH) and C—N distances do not change upon ligand coordination and are equal to 1.680 (5) Å, 1.683 (5) Å and 1.350 (7) Å, 1.358 (7) Å, respectively. In the non-coordinated molecule (L), the P—O bond lengths are 1.483 (3) Å, 1.478 (3) Å, while in (I) they are 1.473 (4) Å and 1.492 (4) Å, respectively.

The environment of the phosphorus atoms in the coordinated L has a slightly distorted tetrahedral geometry. The environment of the amide nitrogen atoms is practically planar and the sum of the adjacent bond angles is equal to 360° indicating sp2-hybridization.

Experimental

The synthesis of L was carried out according to the procedure described previously (Znovjyak et al., 2009).

Hydrated nitrate UO2(NO3)22H2O (1 mmol) was solved upon heating in a methanol (10 ml). The solution was dehydrated by HC(OC2H5)3 (2 mmol), then heated to the boiling point and cooled down. The resulting solution was added to the solution of L (2 mmol) in isopropanol (10 ml) and was left in a vacuum desiccator over CaCl2 at room temperature. After 1 day, the yellow crystals were filtered off and washed with cold isopropanol and dried on the air (yield 85%). IR (KBr,cm-1): 3250 ν(NH), 1745 ν(CO), 1595, 1535, 1500, 1450 ν(CN), 1390, 1280, 1220, 1140 ν(PO), 1080, 1030, 950, 885, 820, 700.

Refinement

All H atoms were placed at calculated positions and treated as riding on their parent atoms [C—H = 0.93 and 0.96 Å, and Uiso(H) = 1.2 and 1.5Ueq(C), N—H = 0.86 Å and Uiso(H) = 1.2Ueq(N)]. In one trichloromethyl group, atoms Cl1–Cl3 were treated as disordered between two orientations A and B, respectively, with the occupancies refined to 0.567 (15) and 0.433 (15). The methyl(phenyl)amino fragment (C23, C61–C66) was also treated as disordered over two conformations with the occupancies refined to 0.60 (4) and 0.40 (4), respectively.

Figures

Fig. 1.
View of (I) with atomic numbering. Displacement ellipsoids are drawn at the 25% probability level. Only major parts of disordered atoms are shown. Hydrogen atoms omitted for clarity.

Crystal data

[U(NO3)2O2(C16H17Cl3N3O2P)2]F(000) = 2408
Mr = 1235.34Dx = 1.756 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
a = 10.2180 (4) ÅCell parameters from 37686 reflections
b = 16.2228 (6) Åθ = 2.9–34.9°
c = 28.4327 (7) ŵ = 3.95 mm1
β = 97.421 (3)°T = 293 K
V = 4673.7 (3) Å3Block, yellow
Z = 40.40 × 0.30 × 0.20 mm

Data collection

Oxford Diffraction Xcalibur3 diffractometer10643 independent reflections
Radiation source: Enhance (Mo) X-ray Source7638 reflections with I > 2σ(I)
graphiteRint = 0.041
Detector resolution: 16.1827 pixels mm-1θmax = 27.5°, θmin = 2.9°
ω scansh = −13→13
Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2006)k = −21→8
Tmin = 0.301, Tmax = 0.506l = −36→24
24426 measured reflections

Refinement

Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.048Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.142H-atom parameters constrained
S = 0.97w = 1/[σ2(Fo2) + (0.0899P)2] where P = (Fo2 + 2Fc2)/3
10643 reflections(Δ/σ)max = 0.049
618 parametersΔρmax = 1.39 e Å3
24 restraintsΔρmin = −1.02 e Å3

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)

xyzUiso*/UeqOcc. (<1)
U0.871559 (19)0.121947 (13)0.140066 (7)0.04079 (9)
P10.70900 (15)0.16278 (10)0.01657 (5)0.0436 (3)
P21.03225 (13)0.08951 (9)0.26388 (5)0.0372 (3)
O110.7295 (5)0.1454 (3)0.06851 (15)0.0549 (11)
O211.0084 (4)0.0994 (3)0.21199 (15)0.0483 (10)
N110.7594 (5)0.2608 (3)0.01177 (16)0.0447 (11)
H11A0.81350.27980.03490.054*
O80.8433 (4)−0.0173 (3)0.17804 (14)0.0543 (11)
N210.9692 (5)−0.0036 (3)0.27361 (17)0.0444 (11)
H21A0.9185−0.02560.25040.053*
O100.7016 (6)−0.1106 (3)0.15164 (19)0.0695 (15)
O60.8993 (4)0.2611 (3)0.10364 (15)0.0585 (12)
O40.7473 (4)0.1592 (3)0.17174 (15)0.0534 (10)
O30.9941 (5)0.0840 (3)0.10814 (16)0.0579 (11)
O51.0157 (5)0.2449 (3)0.17055 (16)0.0661 (13)
N40.7533 (5)−0.0451 (3)0.14771 (18)0.0487 (12)
O71.0225 (7)0.3611 (3)0.1343 (2)0.0839 (18)
N221.1892 (4)0.0966 (3)0.28134 (17)0.0434 (11)
N230.9589 (5)0.1539 (3)0.2961 (2)0.0563 (13)
N130.7957 (6)0.1049 (3)−0.0149 (2)0.0573 (14)
O90.7204 (5)0.0014 (3)0.11269 (15)0.0648 (13)
N30.9823 (5)0.2920 (3)0.13605 (19)0.0534 (13)
N120.5536 (5)0.1541 (4)−0.00397 (17)0.0520 (12)
Cl50.7477 (3)−0.1115 (2)0.3015 (2)0.196 (3)
O120.6630 (5)0.2949 (3)−0.06185 (15)0.0647 (13)
Cl60.9530 (6)−0.19012 (19)0.26862 (15)0.197 (2)
O221.0626 (6)−0.0249 (3)0.34914 (16)0.0727 (15)
C510.8482 (6)0.1325 (4)0.3194 (2)0.0497 (14)
C210.9902 (6)−0.0475 (4)0.3143 (2)0.0477 (14)
C520.8613 (8)0.1282 (4)0.3677 (3)0.0658 (19)
H52A0.94210.13930.38560.079*
C410.8742 (8)0.1335 (4)−0.0495 (3)0.0611 (18)
C110.7230 (7)0.3129 (4)−0.0250 (2)0.0495 (14)
C310.4569 (7)0.1903 (5)0.0203 (3)0.0636 (18)
C560.7273 (7)0.1217 (6)0.2935 (3)0.077 (3)
H56A0.71620.12850.26080.092*
C530.7531 (10)0.1072 (6)0.3897 (3)0.085 (3)
H53A0.76220.10340.42260.102*
C220.9179 (9)−0.1300 (4)0.3144 (3)0.067 (2)
C540.6373 (8)0.0924 (8)0.3650 (3)0.094 (3)
H54A0.56620.07660.38030.113*
C320.4102 (9)0.1501 (7)0.0586 (3)0.082 (2)
H32A0.44630.09990.06950.099*
C360.4023 (9)0.2673 (6)0.0069 (3)0.091 (3)
H36A0.43410.2974−0.01700.110*
C120.7731 (5)0.3968 (3)−0.01573 (12)0.084 (3)
C240.9943 (10)0.2414 (5)0.2964 (4)0.107 (4)
H24A0.94310.27100.31690.160*
H24B0.97670.26300.26480.160*
H24C1.08650.24750.30770.160*
C420.8354 (15)0.1152 (7)−0.0970 (4)0.121 (3)
H42A0.75920.0846−0.10590.145*
C290.7946 (12)0.0162 (5)−0.0064 (4)0.106 (4)
H29A0.8488−0.0109−0.02680.159*
H29B0.7058−0.0040−0.01280.159*
H29C0.82850.00520.02610.159*
C550.6225 (8)0.1005 (7)0.3167 (4)0.099 (3)
H55A0.54020.09150.29930.119*
C460.9891 (12)0.1742 (7)−0.0377 (5)0.127 (3)
H46A1.01550.1856−0.00580.153*
C350.3010 (14)0.2981 (10)0.0294 (6)0.154 (6)
H35A0.26330.34840.01960.184*
Cl40.9432 (4)−0.1782 (2)0.36751 (10)0.1564 (17)
C430.9124 (14)0.1433 (8)−0.1318 (4)0.121 (3)
H43A0.88620.1332−0.16390.145*
C441.0247 (13)0.1852 (7)−0.1174 (6)0.127 (3)
H44A1.07370.2051−0.14040.153*
C451.0703 (13)0.1998 (7)−0.0707 (5)0.127 (3)
H45A1.15090.2255−0.06150.153*
C130.5054 (8)0.1276 (6)−0.0522 (3)0.082 (3)
H13A0.41070.1271−0.05650.124*
H13B0.53770.0733−0.05740.124*
H13C0.53610.1652−0.07450.124*
C330.3089 (13)0.1862 (11)0.0799 (4)0.119 (4)
H33A0.27800.15970.10530.143*
C340.2554 (13)0.2578 (14)0.0648 (5)0.142 (6)
H34A0.18600.27980.07890.170*
C61A1.277 (3)0.0532 (18)0.2554 (12)0.035 (7)0.40 (4)
C62A1.325 (3)0.084 (2)0.2186 (12)0.080 (8)0.40 (4)
H62A1.29540.13610.20820.096*0.40 (4)
C63A1.414 (3)0.048 (2)0.1948 (11)0.080 (8)0.40 (4)
H63A1.44560.07420.16940.096*0.40 (4)
C64A1.454 (5)−0.026 (3)0.2086 (11)0.119 (19)0.40 (4)
H64A1.5097−0.05510.19080.143*0.40 (4)
C65A1.415 (2)−0.0641 (16)0.2503 (14)0.076 (9)0.40 (4)
H65A1.4524−0.11330.26240.092*0.40 (4)
C66A1.318 (3)−0.0223 (15)0.2719 (9)0.050 (6)0.40 (4)
H66A1.2823−0.04620.29710.060*0.40 (4)
C23A1.235 (4)0.1244 (19)0.3328 (12)0.045 (7)0.40 (4)
H23A1.32950.12590.33820.068*0.40 (4)
H23B1.20270.08640.35440.068*0.40 (4)
H23C1.20060.17850.33760.068*0.40 (4)
C62B1.3294 (17)0.1168 (16)0.2199 (7)0.067 (5)0.60 (4)
H62B1.30080.17120.21900.080*0.60 (4)
C61B1.280 (3)0.0668 (16)0.2495 (10)0.057 (8)0.60 (4)
C63B1.417 (2)0.096 (3)0.1911 (7)0.108 (9)0.60 (4)
H63B1.45340.13520.17280.129*0.60 (4)
C64B1.452 (2)0.018 (3)0.1893 (14)0.123 (14)0.60 (4)
H64B1.4957−0.00130.16480.147*0.60 (4)
C65B1.421 (3)−0.038 (3)0.2255 (18)0.157 (17)0.60 (4)
H65B1.4650−0.08790.23120.188*0.60 (4)
C66B1.320 (3)−0.0131 (16)0.2518 (17)0.137 (14)0.60 (4)
H66B1.2815−0.05080.27040.164*0.60 (4)
C23B1.257 (3)0.116 (2)0.3260 (10)0.086 (11)0.60 (4)
H23D1.35020.11500.32460.129*0.60 (4)
H23E1.23520.07670.34890.129*0.60 (4)
H23F1.23160.17030.33510.129*0.60 (4)
Cl1A0.9423 (8)0.4061 (6)0.0048 (7)0.310 (13)0.567 (15)
Cl2A0.7365 (18)0.4709 (5)−0.0607 (3)0.168 (6)0.567 (15)
Cl3A0.701 (2)0.4297 (7)0.0339 (4)0.312 (13)0.567 (15)
Cl1B0.9345 (8)0.3982 (7)−0.0312 (7)0.159 (6)0.433 (15)
Cl2B0.6768 (16)0.4636 (6)−0.0549 (5)0.121 (5)0.433 (15)
Cl3B0.7851 (17)0.4390 (6)0.04167 (19)0.145 (5)0.433 (15)

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
U0.03685 (13)0.04673 (14)0.03773 (13)−0.00300 (9)0.00076 (8)0.00362 (9)
P10.0466 (8)0.0454 (8)0.0363 (7)−0.0095 (7)−0.0034 (6)0.0026 (6)
P20.0280 (6)0.0385 (7)0.0443 (8)−0.0023 (6)0.0012 (5)0.0020 (6)
O110.055 (3)0.064 (3)0.042 (2)−0.014 (2)−0.0080 (19)0.008 (2)
O210.039 (2)0.053 (2)0.049 (2)−0.0072 (18)−0.0080 (18)0.0098 (19)
N110.054 (3)0.046 (3)0.032 (2)−0.004 (2)−0.006 (2)0.005 (2)
O80.058 (3)0.057 (2)0.045 (2)−0.013 (2)−0.005 (2)0.003 (2)
N210.045 (3)0.041 (3)0.044 (3)−0.012 (2)−0.004 (2)0.003 (2)
O100.083 (4)0.059 (3)0.064 (3)−0.029 (3)0.000 (3)0.005 (2)
O60.062 (3)0.052 (3)0.056 (3)−0.016 (2)−0.013 (2)0.007 (2)
O40.049 (2)0.059 (3)0.053 (3)0.009 (2)0.0075 (19)0.007 (2)
O30.059 (3)0.058 (3)0.060 (3)0.004 (2)0.022 (2)0.000 (2)
O50.077 (3)0.061 (3)0.054 (3)−0.016 (2)−0.016 (2)0.011 (2)
N40.053 (3)0.049 (3)0.043 (3)−0.013 (2)0.002 (2)−0.001 (2)
O70.109 (5)0.060 (3)0.078 (4)−0.034 (3)−0.006 (3)0.004 (3)
N220.032 (2)0.056 (3)0.041 (3)−0.005 (2)−0.0008 (19)−0.001 (2)
N230.051 (3)0.043 (3)0.079 (4)0.002 (2)0.025 (3)−0.002 (3)
N130.064 (4)0.047 (3)0.060 (3)−0.008 (3)0.005 (3)0.001 (2)
O90.073 (3)0.065 (3)0.049 (3)−0.021 (2)−0.018 (2)0.008 (2)
N30.055 (3)0.053 (3)0.052 (3)−0.013 (3)0.002 (2)0.001 (3)
N120.047 (3)0.066 (3)0.040 (3)−0.008 (3)−0.003 (2)0.003 (3)
Cl50.086 (2)0.150 (3)0.336 (7)−0.052 (2)−0.036 (3)0.115 (4)
O120.089 (4)0.063 (3)0.036 (2)−0.007 (3)−0.014 (2)0.005 (2)
Cl60.366 (7)0.0752 (18)0.177 (3)−0.072 (3)0.140 (4)−0.052 (2)
O220.094 (4)0.068 (3)0.048 (3)−0.018 (3)−0.023 (3)0.004 (2)
C510.041 (3)0.055 (4)0.054 (4)0.007 (3)0.009 (3)−0.007 (3)
C210.048 (3)0.046 (3)0.047 (3)−0.003 (3)−0.006 (3)0.004 (3)
C520.059 (4)0.078 (5)0.059 (4)−0.004 (4)0.000 (3)−0.006 (4)
C410.059 (4)0.051 (4)0.075 (5)0.009 (3)0.017 (4)−0.001 (3)
C110.063 (4)0.051 (3)0.034 (3)−0.002 (3)0.004 (3)0.004 (3)
C310.048 (4)0.080 (5)0.060 (4)−0.012 (4)−0.004 (3)0.002 (4)
C560.051 (4)0.134 (8)0.046 (4)0.008 (4)0.008 (3)0.007 (4)
C530.091 (7)0.115 (7)0.052 (4)0.006 (6)0.025 (4)−0.003 (4)
C220.086 (5)0.052 (4)0.059 (4)−0.015 (4)−0.008 (4)0.013 (3)
C540.055 (5)0.149 (9)0.087 (7)−0.014 (5)0.039 (5)−0.006 (6)
C320.066 (5)0.120 (7)0.061 (5)−0.018 (5)0.010 (4)0.006 (5)
C360.086 (6)0.100 (7)0.089 (6)0.030 (5)0.014 (5)0.020 (5)
C120.139 (9)0.051 (4)0.053 (4)0.002 (5)−0.013 (5)0.011 (3)
C240.110 (8)0.048 (4)0.178 (11)−0.012 (5)0.077 (8)−0.016 (5)
C420.141 (8)0.146 (7)0.083 (5)0.016 (6)0.046 (5)0.001 (5)
C290.160 (10)0.055 (5)0.112 (8)−0.009 (6)0.052 (7)−0.008 (5)
C550.039 (4)0.160 (9)0.099 (7)−0.011 (5)0.009 (4)−0.028 (7)
C460.109 (5)0.101 (4)0.184 (8)−0.005 (4)0.065 (5)−0.009 (5)
C350.110 (10)0.156 (13)0.188 (15)0.064 (10)−0.005 (10)−0.032 (12)
Cl40.230 (4)0.127 (2)0.0944 (19)−0.088 (3)−0.047 (2)0.0574 (18)
C430.141 (8)0.146 (7)0.083 (5)0.016 (6)0.046 (5)0.001 (5)
C440.109 (5)0.101 (4)0.184 (8)−0.005 (4)0.065 (5)−0.009 (5)
C450.109 (5)0.101 (4)0.184 (8)−0.005 (4)0.065 (5)−0.009 (5)
C130.060 (4)0.135 (8)0.049 (4)−0.030 (5)−0.008 (3)−0.021 (4)
C330.098 (9)0.181 (14)0.082 (7)−0.012 (9)0.026 (6)−0.001 (8)
C340.086 (9)0.24 (2)0.101 (10)−0.004 (11)0.031 (7)−0.045 (12)
C61A0.022 (12)0.046 (13)0.036 (11)0.006 (9)−0.003 (8)−0.003 (9)
C62A0.109 (19)0.069 (16)0.069 (12)0.028 (13)0.038 (11)0.016 (12)
C63A0.109 (19)0.069 (16)0.069 (12)0.028 (13)0.038 (11)0.016 (12)
C64A0.20 (5)0.12 (3)0.053 (18)0.01 (3)0.07 (2)−0.020 (18)
C65A0.052 (12)0.047 (12)0.13 (2)0.036 (9)0.000 (13)0.013 (13)
C66A0.046 (12)0.051 (12)0.056 (12)0.005 (9)0.018 (8)−0.001 (8)
C23A0.051 (17)0.058 (12)0.026 (10)−0.010 (10)0.001 (10)0.008 (10)
C62B0.052 (8)0.087 (12)0.063 (9)−0.002 (8)0.016 (6)0.004 (9)
C61B0.038 (11)0.062 (11)0.071 (17)−0.001 (8)0.005 (10)−0.012 (10)
C63B0.083 (12)0.16 (3)0.087 (13)0.008 (16)0.042 (10)0.007 (16)
C64B0.083 (14)0.15 (3)0.15 (3)−0.001 (16)0.065 (16)−0.05 (2)
C65B0.15 (3)0.12 (3)0.19 (5)0.08 (2)−0.02 (3)−0.03 (2)
C66B0.073 (15)0.096 (18)0.26 (4)−0.003 (13)0.08 (2)−0.03 (2)
C23B0.035 (8)0.17 (3)0.052 (12)−0.018 (10)0.004 (7)−0.048 (11)
Cl1A0.332 (17)0.126 (7)0.40 (2)−0.145 (9)−0.229 (17)0.104 (11)
Cl2A0.360 (18)0.075 (4)0.057 (3)−0.049 (6)−0.020 (6)0.021 (3)
Cl3A0.77 (4)0.076 (5)0.104 (6)−0.019 (13)0.097 (13)−0.050 (4)
Cl1B0.113 (7)0.113 (6)0.266 (15)−0.065 (6)0.077 (8)−0.060 (8)
Cl2B0.192 (10)0.045 (4)0.112 (7)0.015 (5)−0.040 (6)0.034 (3)
Cl3B0.334 (15)0.059 (4)0.034 (3)−0.061 (6)−0.007 (5)−0.008 (3)

Geometric parameters (Å, °)

U—O31.750 (4)C36—C351.379 (16)
U—O41.756 (4)C36—H36A0.9300
U—O212.352 (4)C12—Cl1A1.7587 (10)
U—O112.372 (4)C12—Cl2A1.7590 (10)
U—O62.515 (4)C12—Cl3B1.7591 (10)
U—O82.537 (4)C12—Cl2B1.7593 (10)
U—O92.550 (4)C12—Cl3A1.7600 (10)
U—O52.564 (4)C12—Cl1B1.7606 (10)
U—N42.986 (5)C24—H24A0.9600
U—N32.989 (5)C24—H24B0.9600
P1—O111.492 (4)C24—H24C0.9600
P1—N121.626 (5)C42—C431.418 (16)
P1—N131.634 (6)C42—H42A0.9300
P1—N111.683 (5)C29—H29A0.9600
P2—O211.473 (4)C29—H29B0.9600
P2—N221.621 (5)C29—H29C0.9600
P2—N231.635 (6)C55—H55A0.9300
P2—N211.680 (5)C46—C451.395 (15)
N11—C111.358 (7)C46—H46A0.9300
N11—H11A0.8600C35—C341.33 (2)
O8—N41.260 (6)C35—H35A0.9300
N21—C211.350 (7)C43—C441.351 (17)
N21—H21A0.8600C43—H43A0.9300
O10—N41.198 (6)C44—C451.371 (17)
O6—N31.271 (6)C44—H44A0.9300
O5—N31.255 (7)C45—H45A0.9300
N4—O91.260 (6)C13—H13A0.9600
O7—N31.198 (7)C13—H13B0.9600
N22—C23B1.40 (3)C13—H13C0.9600
N22—C61A1.42 (2)C33—C341.33 (2)
N22—C61B1.46 (2)C33—H33A0.9300
N22—C23A1.54 (4)C34—H34A0.9300
N23—C511.424 (8)C61A—C62A1.315 (19)
N23—C241.464 (9)C61A—C66A1.36 (2)
N13—C411.425 (10)C62A—C63A1.33 (2)
N13—C291.459 (10)C62A—H62A0.9300
N12—C311.405 (9)C63A—C64A1.32 (4)
N12—C131.461 (8)C63A—H63A0.9300
Cl5—C221.756 (9)C64A—C65A1.44 (4)
O12—C111.180 (7)C64A—H64A0.9300
Cl6—C221.702 (9)C65A—C66A1.41 (3)
O22—C211.215 (7)C65A—H65A0.9300
C51—C561.365 (10)C66A—H66A0.9300
C51—C521.365 (10)C23A—H23A0.9600
C21—C221.530 (9)C23A—H23B0.9600
C52—C531.381 (12)C23A—H23C0.9600
C52—H52A0.9300C62B—C63B1.336 (17)
C41—C461.351 (14)C62B—C61B1.315 (18)
C41—C421.390 (15)C62B—H62B0.9300
C11—C121.467 (8)C61B—C66B1.360 (19)
C31—C361.400 (11)C63B—C64B1.32 (3)
C31—C321.403 (11)C63B—H63B0.9300
C56—C551.371 (11)C64B—C65B1.43 (4)
C56—H56A0.9300C64B—H64B0.9300
C53—C541.317 (12)C65B—C66B1.41 (2)
C53—H53A0.9300C65B—H65B0.9300
C22—Cl41.690 (7)C66B—H66B0.9300
C54—C551.371 (12)C23B—H23D0.9600
C54—H54A0.9300C23B—H23E0.9600
C32—C331.395 (15)C23B—H23F0.9600
C32—H32A0.9300
O3—U—O4179.3 (2)C21—C22—Cl5108.4 (5)
O3—U—O2190.65 (19)Cl4—C22—Cl5107.5 (5)
O4—U—O2189.76 (17)Cl6—C22—Cl5103.8 (5)
O3—U—O1190.6 (2)C53—C54—C55119.4 (8)
O4—U—O1188.96 (18)C53—C54—H54A120.3
O21—U—O11178.71 (15)C55—C54—H54A120.3
O3—U—O688.62 (19)C33—C32—C31119.1 (10)
O4—U—O691.73 (18)C33—C32—H32A120.4
O21—U—O6114.30 (13)C31—C32—H32A120.4
O11—U—O665.94 (14)C35—C36—C31119.6 (11)
O3—U—O892.05 (19)C35—C36—H36A120.2
O4—U—O887.61 (18)C31—C36—H36A120.2
O21—U—O865.11 (13)C11—C12—Cl1A116.4 (5)
O11—U—O8114.64 (14)C11—C12—Cl2A117.9 (5)
O6—U—O8179.10 (14)Cl1A—C12—Cl2A106.9 (6)
O3—U—O991.0 (2)C11—C12—Cl3B120.6 (5)
O4—U—O988.3 (2)Cl1A—C12—Cl3B73.2 (7)
O21—U—O9114.52 (14)Cl2A—C12—Cl3B113.0 (6)
O11—U—O965.26 (15)C11—C12—Cl2B107.7 (5)
O6—U—O9131.19 (13)Cl1A—C12—Cl2B127.1 (7)
O8—U—O949.41 (13)Cl2A—C12—Cl2B21.7 (9)
O3—U—O591.8 (2)Cl3B—C12—Cl2B108.3 (7)
O4—U—O588.9 (2)C11—C12—Cl3A104.7 (6)
O21—U—O564.90 (14)Cl1A—C12—Cl3A101.8 (8)
O11—U—O5115.25 (15)Cl2A—C12—Cl3A107.6 (7)
O6—U—O549.47 (13)Cl3B—C12—Cl3A28.9 (8)
O8—U—O5129.89 (14)Cl2B—C12—Cl3A93.5 (7)
O9—U—O5177.16 (17)C11—C12—Cl1B106.4 (5)
O3—U—N492.39 (19)Cl1A—C12—Cl1B33.9 (6)
O4—U—N487.04 (18)Cl2A—C12—Cl1B85.9 (7)
O21—U—N489.79 (14)Cl3B—C12—Cl1B105.7 (7)
O11—U—N489.96 (14)Cl2B—C12—Cl1B107.4 (8)
O6—U—N4155.89 (13)Cl3A—C12—Cl1B134.5 (8)
O8—U—N424.69 (13)N23—C24—H24A109.5
O9—U—N424.74 (13)N23—C24—H24B109.5
O5—U—N4154.40 (14)H24A—C24—H24B109.5
O3—U—N390.31 (19)N23—C24—H24C109.5
O4—U—N390.27 (19)H24A—C24—H24C109.5
O21—U—N389.49 (14)H24B—C24—H24C109.5
O11—U—N390.70 (15)C41—C42—C43119.7 (13)
O6—U—N324.85 (13)C41—C42—H42A120.1
O8—U—N3154.51 (14)C43—C42—H42A120.1
O9—U—N3155.93 (14)N13—C29—H29A109.5
O5—U—N324.62 (13)N13—C29—H29B109.5
N4—U—N3177.22 (14)H29A—C29—H29B109.5
O11—P1—N12110.2 (3)N13—C29—H29C109.5
O11—P1—N13114.6 (3)H29A—C29—H29C109.5
N12—P1—N13109.1 (3)H29B—C29—H29C109.5
O11—P1—N11104.7 (2)C54—C55—C56120.9 (8)
N12—P1—N11110.3 (3)C54—C55—H55A119.5
N13—P1—N11107.8 (3)C56—C55—H55A119.5
O21—P2—N22109.1 (3)C41—C46—C45123.5 (14)
O21—P2—N23117.6 (3)C41—C46—H46A118.3
N22—P2—N23106.9 (3)C45—C46—H46A118.3
O21—P2—N21104.2 (2)C34—C35—C36122.0 (14)
N22—P2—N21113.5 (3)C34—C35—H35A119.0
N23—P2—N21105.6 (3)C36—C35—H35A119.0
P1—O11—U150.6 (3)C44—C43—C42118.4 (13)
P2—O21—U152.9 (3)C44—C43—H43A120.8
C11—N11—P1126.4 (4)C42—C43—H43A120.8
C11—N11—H11A116.8C43—C44—C45123.4 (13)
P1—N11—H11A116.8C43—C44—H44A118.3
N4—O8—U98.1 (3)C45—C44—H44A118.3
C21—N21—P2126.3 (4)C44—C45—C46116.4 (13)
C21—N21—H21A116.8C44—C45—H45A121.8
P2—N21—H21A116.8C46—C45—H45A121.8
N3—O6—U98.9 (3)N12—C13—H13A109.5
N3—O5—U97.0 (3)N12—C13—H13B109.5
O10—N4—O8123.0 (5)H13A—C13—H13B109.5
O10—N4—O9121.9 (5)N12—C13—H13C109.5
O8—N4—O9115.1 (5)H13A—C13—H13C109.5
O10—N4—U177.2 (5)H13B—C13—H13C109.5
O8—N4—U57.3 (3)C34—C33—C32121.6 (13)
O9—N4—U57.9 (3)C34—C33—H33A119.2
C23B—N22—C61A108 (2)C32—C33—H33A119.2
C23B—N22—C61B111.1 (17)C33—C34—C35120.1 (14)
C61A—N22—C61B11.1 (17)C33—C34—H34A119.9
C23B—N22—C23A12 (2)C35—C34—H34A119.9
C61A—N22—C23A120 (2)C62A—C61A—C66A119.2 (18)
C61B—N22—C23A123.2 (19)C62A—C61A—N22124 (2)
C23B—N22—P2130.2 (13)C66A—C61A—N22117 (2)
C61A—N22—P2118.2 (16)C63A—C62A—C61A126 (2)
C61B—N22—P2118.0 (13)C63A—C62A—H62A117.1
C23A—N22—P2118.4 (16)C61A—C62A—H62A117.0
C51—N23—C24116.4 (6)C64A—C63A—C62A117 (2)
C51—N23—P2123.6 (4)C64A—C63A—H63A121.3
C24—N23—P2119.4 (5)C62A—C63A—H63A121.3
C41—N13—C29116.9 (7)C63A—C64A—C65A122 (2)
C41—N13—P1125.7 (4)C63A—C64A—H64A119.1
C29—N13—P1117.4 (6)C65A—C64A—H64A119.2
N4—O9—U97.4 (3)C66A—C65A—C64A116 (2)
O7—N3—O5122.8 (6)C66A—C65A—H65A121.9
O7—N3—O6122.6 (6)C64A—C65A—H65A121.9
O5—N3—O6114.6 (5)C61A—C66A—C65A119 (2)
O7—N3—U177.9 (5)C61A—C66A—H66A120.4
O5—N3—U58.3 (3)C65A—C66A—H66A120.4
O6—N3—U56.2 (3)N22—C23A—H23A109.5
C31—N12—C13114.3 (6)N22—C23A—H23B109.5
C31—N12—P1120.2 (4)H23A—C23A—H23B109.5
C13—N12—P1123.9 (5)N22—C23A—H23C109.5
C56—C51—C52120.0 (7)H23A—C23A—H23C109.5
C56—C51—N23119.9 (6)H23B—C23A—H23C109.5
C52—C51—N23119.9 (6)C63B—C62B—C61B125.5 (18)
O22—C21—N21123.6 (6)C63B—C62B—H62B117.3
O22—C21—C22120.3 (6)C61B—C62B—H62B117.3
N21—C21—C22116.1 (5)C62B—C61B—C66B118.6 (16)
C51—C52—C53119.2 (7)C62B—C61B—N22121.4 (18)
C51—C52—H52A120.4C66B—C61B—N22119.9 (18)
C53—C52—H52A120.4C64B—C63B—C62B118 (2)
C46—C41—C42118.4 (10)C64B—C63B—H63B120.9
C46—C41—N13122.4 (9)C62B—C63B—H63B120.9
C42—C41—N13119.1 (8)C63B—C64B—C65B120 (2)
O12—C11—N11126.1 (6)C63B—C64B—H64B120.2
O12—C11—C12121.3 (5)C65B—C64B—H64B120.2
N11—C11—C12112.6 (5)C66B—C65B—C64B116 (2)
C36—C31—C32117.6 (8)C66B—C65B—H65B121.9
C36—C31—N12121.3 (7)C64B—C65B—H65B121.9
C32—C31—N12121.1 (7)C61B—C66B—C65B119 (2)
C51—C56—C55118.8 (7)C61B—C66B—H66B120.5
C51—C56—H56A120.6C65B—C66B—H66B120.4
C55—C56—H56A120.6N22—C23B—H23D109.5
C54—C53—C52121.4 (8)N22—C23B—H23E109.5
C54—C53—H53A119.3H23D—C23B—H23E109.5
C52—C53—H53A119.3N22—C23B—H23F109.5
C21—C22—Cl4112.9 (5)H23D—C23B—H23F109.5
C21—C22—Cl6110.5 (6)H23E—C23B—H23F109.5
Cl4—C22—Cl6113.3 (5)
N12—P1—O11—U171.1 (5)O4—U—N3—O7−36 (12)
N13—P1—O11—U47.7 (7)O21—U—N3—O7−126 (12)
N11—P1—O11—U−70.2 (6)O11—U—N3—O753 (12)
O3—U—O11—P1−26.7 (6)O6—U—N3—O757 (12)
O4—U—O11—P1153.9 (6)O8—U—N3—O7−121 (12)
O21—U—O11—P1162 (6)O9—U—N3—O750 (13)
O6—U—O11—P161.5 (6)O5—U—N3—O7−123 (13)
O8—U—O11—P1−119.2 (6)N4—U—N3—O7−51 (14)
O9—U—O11—P1−117.5 (6)O3—U—N3—O5−93.6 (4)
O5—U—O11—P165.6 (6)O4—U—N3—O586.8 (4)
N4—U—O11—P1−119.1 (6)O21—U—N3—O5−2.9 (4)
N3—U—O11—P163.6 (6)O11—U—N3—O5175.8 (4)
N22—P2—O21—U−166.1 (5)O6—U—N3—O5−179.6 (6)
N23—P2—O21—U−44.2 (7)O8—U—N3—O51.8 (6)
N21—P2—O21—U72.3 (6)O9—U—N3—O5173.2 (4)
O3—U—O21—P2−162.8 (6)N4—U—N3—O572 (3)
O4—U—O21—P216.7 (6)O3—U—N3—O686.1 (4)
O11—U—O21—P28(7)O4—U—N3—O6−93.5 (4)
O6—U—O21—P2108.4 (6)O21—U—N3—O6176.7 (4)
O8—U—O21—P2−70.8 (6)O11—U—N3—O6−4.6 (4)
O9—U—O21—P2−71.4 (6)O8—U—N3—O6−178.5 (4)
O5—U—O21—P2105.6 (6)O9—U—N3—O6−7.1 (6)
N4—U—O21—P2−70.4 (6)O5—U—N3—O6179.6 (6)
N3—U—O21—P2106.9 (6)N4—U—N3—O6−108 (3)
O11—P1—N11—C11−157.5 (5)O11—P1—N12—C3146.0 (6)
N12—P1—N11—C11−39.0 (6)N13—P1—N12—C31172.6 (5)
N13—P1—N11—C1180.1 (6)N11—P1—N12—C31−69.2 (6)
O3—U—O8—N4−91.3 (4)O11—P1—N12—C13−149.1 (6)
O4—U—O8—N488.1 (4)N13—P1—N12—C13−22.5 (7)
O21—U—O8—N4179.0 (4)N11—P1—N12—C1395.7 (6)
O11—U—O8—N40.4 (4)C24—N23—C51—C5698.3 (9)
O6—U—O8—N4131 (9)P2—N23—C51—C56−72.9 (8)
O9—U—O8—N4−1.7 (3)C24—N23—C51—C52−77.4 (9)
O5—U—O8—N4174.7 (3)P2—N23—C51—C52111.4 (7)
N3—U—O8—N4173.7 (3)P2—N21—C21—O22−2.3 (10)
O21—P2—N21—C21165.7 (5)P2—N21—C21—C22178.4 (5)
N22—P2—N21—C2147.1 (6)C56—C51—C52—C534.4 (11)
N23—P2—N21—C21−69.7 (6)N23—C51—C52—C53−179.8 (7)
O3—U—O6—N3−93.7 (4)C29—N13—C41—C46−107.2 (10)
O4—U—O6—N386.9 (4)P1—N13—C41—C4671.8 (10)
O21—U—O6—N3−3.6 (4)C29—N13—C41—C4269.2 (11)
O11—U—O6—N3175.0 (4)P1—N13—C41—C42−111.9 (8)
O8—U—O6—N345 (9)P1—N11—C11—O12−9.6 (10)
O9—U—O6—N3176.1 (3)P1—N11—C11—C12173.6 (4)
O5—U—O6—N3−0.2 (3)C13—N12—C31—C36−68.8 (9)
N4—U—O6—N3173.5 (4)P1—N12—C31—C3697.5 (8)
O3—U—O5—N386.9 (4)C13—N12—C31—C32110.2 (8)
O4—U—O5—N3−93.0 (4)P1—N12—C31—C32−83.5 (8)
O21—U—O5—N3176.8 (4)C52—C51—C56—C55−4.8 (12)
O11—U—O5—N3−4.7 (4)N23—C51—C56—C55179.5 (8)
O6—U—O5—N30.2 (3)C51—C52—C53—C54−1.0 (14)
O8—U—O5—N3−179.0 (3)O22—C21—C22—Cl43.8 (10)
O9—U—O5—N3−104 (3)N21—C21—C22—Cl4−176.9 (6)
N4—U—O5—N3−173.9 (3)O22—C21—C22—Cl6−124.2 (7)
U—O8—N4—O10−176.7 (6)N21—C21—C22—Cl655.1 (8)
U—O8—N4—O92.8 (6)O22—C21—C22—Cl5122.7 (7)
O3—U—N4—O10−174 (100)N21—C21—C22—Cl5−58.0 (8)
O4—U—N4—O106(9)C52—C53—C54—C55−2.1 (18)
O21—U—N4—O1096 (9)C36—C31—C32—C332.7 (12)
O11—U—N4—O10−83 (9)N12—C31—C32—C33−176.4 (8)
O6—U—N4—O10−82 (9)C32—C31—C36—C35−3.8 (14)
O8—U—N4—O1096 (9)N12—C31—C36—C35175.3 (9)
O9—U—N4—O10−87 (9)O12—C11—C12—Cl1A−127.1 (9)
O5—U—N4—O1087 (9)N11—C11—C12—Cl1A49.9 (9)
N3—U—N4—O1020 (11)O12—C11—C12—Cl2A1.9 (11)
O3—U—N4—O889.7 (4)N11—C11—C12—Cl2A178.9 (8)
O4—U—N4—O8−90.7 (4)O12—C11—C12—Cl3B147.6 (8)
O21—U—N4—O8−0.9 (4)N11—C11—C12—Cl3B−35.4 (9)
O11—U—N4—O8−179.7 (4)O12—C11—C12—Cl2B22.8 (10)
O6—U—N4—O8−178.3 (4)N11—C11—C12—Cl2B−160.2 (8)
O9—U—N4—O8177.0 (6)O12—C11—C12—Cl3A121.4 (10)
O5—U—N4—O8−9.4 (6)N11—C11—C12—Cl3A−61.6 (9)
N3—U—N4—O8−76 (3)O12—C11—C12—Cl1B−92.2 (9)
O3—U—N4—O9−87.2 (4)N11—C11—C12—Cl1B84.8 (8)
O4—U—N4—O992.3 (4)C46—C41—C42—C43−3.6 (15)
O21—U—N4—O9−177.9 (4)N13—C41—C42—C43180.0 (9)
O11—U—N4—O93.4 (4)C53—C54—C55—C561.7 (19)
O6—U—N4—O94.7 (6)C51—C56—C55—C541.7 (16)
O8—U—N4—O9−177.0 (6)C42—C41—C46—C451.0 (16)
O5—U—N4—O9173.6 (4)N13—C41—C46—C45177.3 (9)
N3—U—N4—O9107 (3)C31—C36—C35—C342(2)
O21—P2—N22—C23B158.1 (17)C41—C42—C43—C442.2 (18)
N23—P2—N22—C23B29.9 (18)C42—C43—C44—C452(2)
N21—P2—N22—C23B−86.1 (17)C43—C44—C45—C46−4.5 (19)
O21—P2—N22—C61A−45.1 (14)C41—C46—C45—C443.0 (18)
N23—P2—N22—C61A−173.3 (14)C31—C32—C33—C340.2 (18)
N21—P2—N22—C61A70.7 (14)C32—C33—C34—C35−2(2)
O21—P2—N22—C61B−32.5 (13)C36—C35—C34—C331(2)
N23—P2—N22—C61B−160.7 (12)C23B—N22—C61A—C62A−110 (3)
N21—P2—N22—C61B83.3 (13)C61B—N22—C61A—C62A−3(12)
O21—P2—N22—C23A154.7 (12)C23A—N22—C61A—C62A−112 (3)
N23—P2—N22—C23A26.5 (12)P2—N22—C61A—C62A89 (2)
N21—P2—N22—C23A−89.5 (12)C23B—N22—C61A—C66A66 (3)
O21—P2—N23—C51105.4 (6)C61B—N22—C61A—C66A173 (16)
N22—P2—N23—C51−131.5 (5)C23A—N22—C61A—C66A64 (3)
N21—P2—N23—C51−10.3 (6)P2—N22—C61A—C66A−96 (3)
O21—P2—N23—C24−65.5 (8)C66A—C61A—C62A—C63A0(2)
N22—P2—N23—C2457.6 (8)N22—C61A—C62A—C63A176 (3)
N21—P2—N23—C24178.7 (7)C61A—C62A—C63A—C64A2(3)
O11—P1—N13—C41−130.9 (6)C62A—C63A—C64A—C65A−6(5)
N12—P1—N13—C41105.1 (6)C63A—C64A—C65A—C66A8(6)
N11—P1—N13—C41−14.7 (7)C62A—C61A—C66A—C65A3(4)
O11—P1—N13—C2948.1 (7)N22—C61A—C66A—C65A−173 (3)
N12—P1—N13—C29−75.9 (7)C64A—C65A—C66A—C61A−6(5)
N11—P1—N13—C29164.2 (7)C63B—C62B—C61B—C66B0(2)
O10—N4—O9—U176.7 (5)C63B—C62B—C61B—N22177 (2)
O8—N4—O9—U−2.8 (6)C23B—N22—C61B—C62B−95 (2)
O3—U—O9—N493.5 (4)C61A—N22—C61B—C62B−172 (16)
O4—U—O9—N4−86.6 (4)C23A—N22—C61B—C62B−94 (2)
O21—U—O9—N42.3 (4)P2—N22—C61B—C62B94 (2)
O11—U—O9—N4−176.3 (4)C23B—N22—C61B—C66B82 (3)
O6—U—O9—N4−177.4 (3)C61A—N22—C61B—C66B5(13)
O8—U—O9—N41.7 (3)C23A—N22—C61B—C66B83 (3)
O5—U—O9—N4−75 (3)P2—N22—C61B—C66B−90 (2)
N3—U—O9—N4−173.5 (4)C61B—C62B—C63B—C64B5(2)
U—O5—N3—O7177.9 (6)C62B—C63B—C64B—C65B−15 (4)
U—O5—N3—O6−0.3 (6)C63B—C64B—C65B—C66B20 (5)
U—O6—N3—O7−177.9 (6)C62B—C61B—C66B—C65B5(4)
U—O6—N3—O50.3 (6)N22—C61B—C66B—C65B−171 (3)
O3—U—N3—O7143 (12)C64B—C65B—C66B—C61B−15 (5)

Hydrogen-bond geometry (Å, °)

D—H···AD—HH···AD···AD—H···A
N11—H11A···O60.862.062.811 (6)146
N21—H21A···O80.862.112.861 (6)146

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: CV2695).

References

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