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Acta Crystallogr Sect E Struct Rep Online. 2008 January 1; 64(Pt 1): m96–m97.
Published online 2007 December 6. doi:  10.1107/S1600536807064148
PMCID: PMC2914969

Bis[μ-4-amino-3,5-bis­(hydroxy­meth­yl)-1,2,4-triazole]bis{bis­[4-amino-3,5-bis­(hydroxy­meth­yl)-1,2,4-triazole]nickel(II)} tetra­nitrate methanol disolvate

Abstract

The title complex, [Ni2(C4H8N4O2)6](NO3)4·2CH4O, contains a centrosymmetric binuclear nickel(II) complex bridged by a pair of 4-amino-3,5-bis­(hydroxy­meth­yl)-1,2,4-triazole ligands. The separation between the NiII atoms is 3.962 (1) Å. The Ni atoms are in a slightly distorted octa­hedral coordination. Inter­molecular N—H(...)O, N—H(...)N and O—H(...)O hydrogen bonds connect the ligands, solvent mol­ecules and nitrate ions.

Related literature

For the synthesis of the ligand see: Adamek (1960 [triangle]). For related literature, see: Feiters (1990 [triangle]); Vrevgdenhil et al. (1987 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-64-00m96-scheme1.jpg

Experimental

Crystal data

  • [Ni2(C4H8N4O2)6](NO3)4·2CH4O
  • M r = 1294.41
  • Monoclinic, An external file that holds a picture, illustration, etc.
Object name is e-64-00m96-efi1.jpg
  • a = 12.5126 (17) Å
  • b = 13.2808 (18) Å
  • c = 16.153 (2) Å
  • β = 92.699 (2)°
  • V = 2681.3 (7) Å3
  • Z = 2
  • Mo Kα radiation
  • μ = 0.81 mm−1
  • T = 298 (2) K
  • 0.21 × 0.18 × 0.13 mm

Data collection

  • Bruker SMART CCD diffractometer
  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996 [triangle]) T min = 0.848, T max = 0.902
  • 12772 measured reflections
  • 4719 independent reflections
  • 2751 reflections with I > 2σ(I)
  • R int = 0.063

Refinement

  • R[F 2 > 2σ(F 2)] = 0.065
  • wR(F 2) = 0.188
  • S = 0.91
  • 4719 reflections
  • 366 parameters
  • H-atom parameters constrained
  • Δρmax = 1.19 e Å−3
  • Δρmin = −1.04 e Å−3

Data collection: SMART (Siemens, 1996 [triangle]); cell refinement: SAINT (Siemens, 1996 [triangle]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a [triangle]); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a [triangle]); molecular graphics: SHELXTL (Sheldrick, 1997b [triangle]); software used to prepare material for publication: SHELXTL.

Table 1
Selected geometric parameters (Å, °)
Table 2
Hydrogen-bond geometry (Å, °)

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536807064148/kp2150sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536807064148/kp2150Isup2.hkl

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

Acknowledgments

This work was supported by the National Natural Science Foundation of China (Project No. 20371025).

supplementary crystallographic information

Comment

Bridging systems based on the 1,2,4,-triazole ring are interesting due to their similarity to 1,3-imidazolate found in superoxide dismutase (Feiters, 1990). So far some polynuclear nicker(II)co-ordination compounds have been descrided with the ligand H2ahmt [4-amino-3,5-bis(hydroxymethyl)-1,2,4-triazole], such as Ni4(NCS)4(Hahmt)4(H2O)4, Ni8(NCS)8(ahmt)(Hahmt)6(H2ahmt)4(H2O)12 (Vrevgdenhil et al., 1987). As an extension of this work on the structural characterization of 4-amino-3,5-bis(hydroxymethyl)-1,2,4-triazole derivatives, we have synthesized the title compound (I) and determined its crystal structure. The binuclear complex has a centre of symmetry and two Ni atoms are surrounded by four H2ahmt ligands (Fig. 1, Table1). There are three distinctive coordination modes of H2ahmt to the metal: a) the ligand acts as a tridentate ligand through the hydroxymethyl O atom and a bridging µ-N(5) andµ-N(6) coordination mode between two Ni atoms, b) as a monodentate ligand, and c) as a bidentate ligand. The finite hydrogen-bonded assembly (Fig. 2, Table 2) displays hydrogen bonds N—H···O, O—H···O and O—H···N connecting complex cations, anions, and solvent molecules.

Experimental

NiCl2-6H2O, 4-amino-3,5-bis(hydroxymethyl)-1,2,4-triazole, and ammonia were reacted in 1:2:2 molar ratio in the mixed solution of CH3OH and H2O (in vol. ratio 2:1) under solvothermal condition at 423 K. After heating the solution for five days and cooling down to room temperature crystals were obtained.

Refinement

All H atoms were placed geometrically and treated as riding on their parent atoms with C—H 0.96(pyridine), C—H 0.97 (methylene) Å [Uiso(H) = 1.2Ueq(C)],N—H 0.86 (amino)Å [Uiso(H) = 1.2Ueq(N)], and O—H 0.82 Å (hydroxyl) [Uiso(H) = 1.5Ueq(O)]

Figures

Fig. 1.
The molecular structure of the title complex. Displacement ellipsoids are drawn at the 30% probability level and H atoms have been omitted for clarity.
Fig. 2.
Crystal packing with hydrogen bonds shown as dashed lines.

Crystal data

[Ni2(C4H8N4O2)6](NO3)4·2CH4OF000 = 1344
Mr = 1294.41Dx = 1.603 Mg m3
Monoclinic, P2(1)/nMo Kα radiation λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 2129 reflections
a = 12.5126 (17) Åθ = 2.5–25.2º
b = 13.2808 (18) ŵ = 0.81 mm1
c = 16.153 (2) ÅT = 298 (2) K
β = 92.699 (2)ºBlock, green
V = 2681.3 (7) Å30.21 × 0.18 × 0.13 mm
Z = 2

Data collection

Bruker SMART CCD diffractometer4719 independent reflections
Radiation source: fine-focus sealed tube2751 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.063
T = 298(2) Kθmax = 25.0º
[var phi] and ω scansθmin = 2.0º
Absorption correction: multi-scan(SADABS; Sheldrick, 1996)h = −13→14
Tmin = 0.848, Tmax = 0.902k = −15→15
12772 measured reflectionsl = −14→19

Refinement

Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.065H-atom parameters constrained
wR(F2) = 0.188  w = 1/[σ2(Fo2) + (0.1128P)2] where P = (Fo2 + 2Fc2)/3
S = 0.91(Δ/σ)max = 0.001
4719 reflectionsΔρmax = 1.19 e Å3
366 parametersΔρmin = −1.04 e Å3
Primary atom site location: structure-invariant direct methodsExtinction correction: none

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s 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*/Ueq
Ni10.90189 (5)0.09542 (5)0.94051 (4)0.0325 (2)
N11.0196 (3)0.1751 (3)0.8847 (3)0.0367 (11)
N21.1256 (4)0.1555 (3)0.9116 (3)0.0395 (11)
N31.1235 (4)0.2706 (4)0.8165 (3)0.0435 (12)
N41.1555 (4)0.3392 (5)0.7575 (4)0.0728 (19)
H4A1.10850.36770.72470.087*
H4B1.22220.35310.75380.087*
N50.9656 (3)−0.0413 (3)0.9065 (3)0.0337 (10)
N61.0247 (4)−0.1188 (3)0.9433 (3)0.0358 (11)
N70.9660 (4)−0.1658 (3)0.8205 (3)0.0421 (12)
N80.9454 (5)−0.2235 (4)0.7493 (3)0.0707 (18)
H8A0.9070−0.19910.70850.085*
H8B0.9711−0.28330.74620.085*
N90.7838 (4)0.1977 (3)0.9584 (3)0.0390 (11)
N100.7583 (4)0.2951 (3)0.9320 (3)0.0411 (12)
N110.6360 (4)0.2398 (4)1.0129 (3)0.0426 (12)
N120.5476 (4)0.2333 (4)1.0626 (3)0.0584 (16)
H12A0.53790.18001.09160.070*
H12B0.50300.28241.06410.070*
N130.3441 (8)0.5295 (7)0.7903 (6)0.1035 (16)
N140.7629 (7)0.1956 (8)0.6076 (6)0.098 (3)
O10.8962 (4)0.3815 (3)0.8150 (3)0.0641 (13)
H10.85930.37130.85470.096*
O21.3471 (4)0.1683 (4)0.9440 (3)0.0683 (14)
H21.29910.14900.97300.103*
O30.8214 (3)0.0701 (3)0.8228 (2)0.0417 (10)
H30.75700.06210.82740.062*
O41.1786 (4)−0.2835 (4)0.8582 (3)0.0828 (17)
H41.1977−0.33930.84300.124*
O50.7851 (3)0.0094 (3)0.9998 (2)0.0406 (9)
H50.8048−0.04021.02670.061*
O60.5163 (5)0.3947 (4)0.9096 (4)0.1035 (16)
H60.50030.44320.88010.155*
O70.4045 (6)0.5941 (5)0.8164 (5)0.125 (3)
O80.3724 (5)0.4514 (5)0.7620 (5)0.115 (3)
O90.2502 (7)0.5485 (6)0.7845 (6)0.159 (4)
O100.7076 (6)0.1478 (7)0.6485 (5)0.144 (3)
O110.8346 (7)0.1599 (6)0.5698 (6)0.157 (4)
O120.7564 (6)0.2863 (8)0.6035 (5)0.134 (3)
O130.6140 (4)0.0487 (4)0.7942 (4)0.0797 (16)
H130.60440.01390.75260.120*
C10.9259 (5)0.2882 (5)0.7800 (4)0.0494 (16)
H1A0.94260.29810.72260.059*
H1B0.86630.24150.78130.059*
C21.0214 (5)0.2441 (4)0.8270 (4)0.0400 (14)
C31.1843 (4)0.2153 (4)0.8701 (4)0.0389 (13)
C41.3038 (5)0.2228 (5)0.8783 (4)0.0545 (17)
H4C1.33360.19880.82760.065*
H4D1.32380.29290.88530.065*
C50.8627 (5)−0.0106 (5)0.7768 (4)0.0461 (15)
H5A0.90390.01510.73200.055*
H5B0.8046−0.05130.75300.055*
C60.9310 (5)−0.0715 (4)0.8334 (3)0.0372 (13)
C71.0245 (5)−0.1936 (4)0.8897 (4)0.0407 (14)
C81.0773 (6)−0.2919 (4)0.8967 (4)0.0530 (17)
H8C1.0883−0.31060.95450.064*
H8D1.0334−0.34310.86900.064*
C90.7120 (5)0.0662 (4)1.0460 (4)0.0446 (15)
H9A0.73650.07081.10370.054*
H9B0.64150.03561.04270.054*
C100.7096 (4)0.1669 (4)1.0066 (3)0.0367 (13)
C110.6685 (5)0.3183 (4)0.9657 (4)0.0410 (14)
C120.6129 (6)0.4159 (5)0.9566 (5)0.063 (2)
H12C0.59760.44331.01040.076*
H12D0.65620.46380.92770.076*
C130.5390 (7)0.0235 (7)0.8515 (6)0.093 (3)
H13A0.5649−0.03240.88430.140*
H13B0.47280.00540.82280.140*
H13C0.52750.08010.88690.140*

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
Ni10.0297 (4)0.0320 (4)0.0364 (4)0.0031 (3)0.0070 (3)0.0008 (3)
N10.030 (3)0.037 (3)0.044 (3)0.002 (2)0.008 (2)0.005 (2)
N20.031 (3)0.042 (3)0.046 (3)0.002 (2)0.008 (2)0.008 (2)
N30.039 (3)0.045 (3)0.047 (3)−0.006 (2)0.008 (2)0.012 (2)
N40.044 (3)0.089 (5)0.086 (4)−0.015 (3)0.001 (3)0.052 (4)
N50.031 (3)0.034 (2)0.037 (3)0.004 (2)0.005 (2)0.000 (2)
N60.038 (3)0.029 (2)0.042 (3)0.007 (2)0.012 (2)−0.002 (2)
N70.049 (3)0.039 (3)0.039 (3)0.000 (2)0.003 (2)−0.009 (2)
N80.104 (5)0.057 (4)0.049 (4)0.009 (4)−0.016 (3)−0.020 (3)
N90.037 (3)0.037 (3)0.043 (3)0.009 (2)0.008 (2)0.003 (2)
N100.041 (3)0.037 (3)0.046 (3)0.010 (2)0.007 (2)0.002 (2)
N110.037 (3)0.045 (3)0.046 (3)0.009 (2)0.007 (2)−0.003 (2)
N120.042 (3)0.066 (4)0.070 (4)0.022 (3)0.030 (3)0.018 (3)
N130.081 (4)0.088 (3)0.141 (5)0.008 (3)−0.005 (3)−0.001 (3)
N140.071 (6)0.107 (7)0.117 (7)0.008 (6)0.013 (5)0.029 (6)
O10.067 (3)0.056 (3)0.071 (3)0.015 (2)0.021 (3)0.020 (2)
O20.042 (3)0.073 (3)0.089 (4)−0.009 (2)0.002 (3)0.023 (3)
O30.037 (2)0.042 (2)0.046 (2)0.0036 (18)0.0040 (19)0.0000 (18)
O40.088 (4)0.062 (3)0.100 (4)0.029 (3)0.026 (3)−0.010 (3)
O50.040 (2)0.035 (2)0.049 (2)0.0061 (18)0.0154 (18)−0.0010 (17)
O60.081 (4)0.088 (3)0.141 (5)0.008 (3)−0.005 (3)−0.001 (3)
O70.115 (6)0.117 (5)0.145 (6)−0.035 (5)0.044 (5)−0.058 (5)
O80.085 (4)0.067 (4)0.198 (7)−0.004 (3)0.057 (5)−0.030 (4)
O90.106 (6)0.126 (6)0.242 (10)0.038 (5)−0.014 (6)−0.079 (6)
O100.108 (6)0.181 (8)0.147 (7)−0.009 (6)0.051 (5)0.045 (6)
O110.118 (6)0.113 (6)0.248 (10)−0.012 (5)0.098 (7)−0.013 (6)
O120.115 (6)0.147 (7)0.142 (7)0.037 (6)0.014 (5)0.024 (6)
O130.061 (3)0.083 (4)0.097 (4)−0.012 (3)0.023 (3)−0.016 (3)
C10.048 (4)0.050 (4)0.050 (4)0.004 (3)0.006 (3)0.012 (3)
C20.040 (4)0.038 (3)0.042 (3)−0.004 (3)0.004 (3)0.004 (3)
C30.032 (3)0.042 (3)0.044 (3)−0.005 (3)0.009 (3)0.005 (3)
C40.042 (4)0.057 (4)0.065 (5)−0.013 (3)0.002 (3)0.013 (3)
C50.046 (4)0.053 (4)0.039 (3)0.012 (3)0.002 (3)−0.007 (3)
C60.038 (3)0.039 (3)0.035 (3)0.003 (3)0.004 (3)−0.002 (2)
C70.043 (4)0.037 (3)0.042 (4)0.003 (3)0.009 (3)−0.003 (3)
C80.067 (5)0.037 (3)0.054 (4)0.005 (3)−0.003 (3)0.000 (3)
C90.041 (4)0.045 (3)0.049 (4)0.007 (3)0.016 (3)0.002 (3)
C100.029 (3)0.038 (3)0.043 (3)0.004 (3)0.006 (3)−0.001 (3)
C110.038 (3)0.042 (3)0.043 (3)0.007 (3)0.004 (3)0.001 (3)
C120.066 (5)0.052 (4)0.074 (5)0.027 (4)0.012 (4)0.007 (4)
C130.082 (6)0.102 (7)0.100 (7)−0.041 (5)0.035 (5)−0.024 (5)

Geometric parameters (Å, °)

Ni1—N92.037 (4)N14—O121.209 (10)
Ni1—N12.055 (4)O1—C11.419 (7)
Ni1—N52.068 (4)O1—H10.8200
Ni1—N6i2.073 (5)O2—C41.374 (7)
Ni1—O52.119 (4)O2—H20.8200
Ni1—O32.136 (4)O3—C51.415 (6)
N1—C21.308 (7)O3—H30.8200
N1—N21.402 (6)O4—C81.443 (8)
N2—C31.291 (7)O4—H40.8200
N3—C21.343 (7)O5—C91.424 (6)
N3—C31.344 (7)O5—H50.8200
N3—N41.392 (6)O6—C121.424 (9)
N4—H4A0.8600O6—H60.8200
N4—H4B0.8600O13—C131.389 (8)
N5—C61.302 (7)O13—H130.8200
N5—N61.385 (6)C1—C21.505 (8)
N6—C71.318 (7)C1—H1A0.9700
N6—Ni1i2.073 (5)C1—H1B0.9700
N7—C61.347 (7)C3—C41.498 (8)
N7—C71.359 (7)C4—H4C0.9700
N7—N81.395 (6)C4—H4D0.9700
N8—H8A0.8600C5—C61.465 (8)
N8—H8B0.8600C5—H5A0.9700
N9—C101.305 (7)C5—H5B0.9700
N9—N101.395 (6)C7—C81.465 (8)
N10—C111.308 (7)C8—H8C0.9700
N11—C101.343 (7)C8—H8D0.9700
N11—C111.363 (7)C9—C101.481 (8)
N11—N121.400 (6)C9—H9A0.9700
N12—H12A0.8600C9—H9B0.9700
N12—H12B0.8600C11—C121.475 (8)
N13—O81.194 (9)C12—H12C0.9700
N13—O91.202 (10)C12—H12D0.9700
N13—O71.207 (10)C13—H13A0.9600
N14—O101.167 (9)C13—H13B0.9600
N14—O111.205 (10)C13—H13C0.9600
N9—Ni1—N1104.95 (18)C12—O6—H6109.5
N9—Ni1—N5156.10 (19)C13—O13—H13109.5
N1—Ni1—N592.46 (17)O1—C1—C2110.8 (5)
N9—Ni1—N6i93.72 (17)O1—C1—H1A109.5
N1—Ni1—N6i91.35 (18)C2—C1—H1A109.5
N5—Ni1—N6i102.25 (17)O1—C1—H1B109.5
N9—Ni1—O577.02 (17)C2—C1—H1B109.5
N1—Ni1—O5177.81 (17)H1A—C1—H1B108.1
N5—Ni1—O585.92 (15)N1—C2—N3108.8 (5)
N6i—Ni1—O587.57 (16)N1—C2—C1126.3 (5)
N9—Ni1—O385.24 (16)N3—C2—C1124.9 (5)
N1—Ni1—O390.46 (16)N2—C3—N3110.7 (5)
N5—Ni1—O378.26 (16)N2—C3—C4125.8 (5)
N6i—Ni1—O3178.09 (16)N3—C3—C4123.6 (5)
O5—Ni1—O390.64 (15)O2—C4—C3112.9 (5)
C2—N1—N2107.6 (4)O2—C4—H4C109.0
C2—N1—Ni1135.3 (4)C3—C4—H4C109.0
N2—N1—Ni1117.1 (3)O2—C4—H4D109.0
C3—N2—N1106.1 (4)C3—C4—H4D109.0
C2—N3—C3106.8 (5)H4C—C4—H4D107.8
C2—N3—N4124.3 (5)O3—C5—C6107.9 (5)
C3—N3—N4128.8 (5)O3—C5—H5A110.1
N3—N4—H4A120.0C6—C5—H5A110.1
N3—N4—H4B120.0O3—C5—H5B110.1
H4A—N4—H4B120.0C6—C5—H5B110.1
C6—N5—N6108.0 (4)H5A—C5—H5B108.4
C6—N5—Ni1113.3 (4)N5—C6—N7109.3 (5)
N6—N5—Ni1138.0 (3)N5—C6—C5123.8 (5)
C7—N6—N5107.1 (5)N7—C6—C5127.0 (5)
C7—N6—Ni1i134.0 (4)N6—C7—N7108.7 (5)
N5—N6—Ni1i118.9 (3)N6—C7—C8129.4 (6)
C6—N7—C7107.0 (5)N7—C7—C8121.9 (5)
C6—N7—N8126.1 (5)O4—C8—C7107.5 (5)
C7—N7—N8126.9 (5)O4—C8—H8C110.2
N7—N8—H8A120.0C7—C8—H8C110.2
N7—N8—H8B120.0O4—C8—H8D110.2
H8A—N8—H8B120.0C7—C8—H8D110.2
C10—N9—N10108.3 (4)H8C—C8—H8D108.5
C10—N9—Ni1114.6 (4)O5—C9—C10104.7 (4)
N10—N9—Ni1137.1 (4)O5—C9—H9A110.8
C11—N10—N9106.2 (5)C10—C9—H9A110.8
C10—N11—C11106.6 (5)O5—C9—H9B110.8
C10—N11—N12124.1 (5)C10—C9—H9B110.8
C11—N11—N12129.2 (5)H9A—C9—H9B108.9
N11—N12—H12A120.0N9—C10—N11109.2 (5)
N11—N12—H12B120.0N9—C10—C9122.6 (5)
H12A—N12—H12B120.0N11—C10—C9128.3 (5)
O8—N13—O9117.3 (10)N10—C11—N11109.7 (5)
O8—N13—O7124.0 (10)N10—C11—C12125.1 (6)
O9—N13—O7118.2 (10)N11—C11—C12125.1 (5)
O10—N14—O11123.3 (11)O6—C12—C11105.4 (6)
O10—N14—O12122.2 (11)O6—C12—H12C110.7
O11—N14—O12114.5 (10)C11—C12—H12C110.7
C1—O1—H1109.5O6—C12—H12D110.7
C4—O2—H2109.5C11—C12—H12D110.7
C5—O3—Ni1114.7 (3)H12C—C12—H12D108.8
C5—O3—H3109.5O13—C13—H13A109.5
Ni1—O3—H3111.3O13—C13—H13B109.5
C8—O4—H4109.5H13A—C13—H13B109.5
C9—O5—Ni1115.1 (3)O13—C13—H13C109.5
C9—O5—H5109.4H13A—C13—H13C109.5
Ni1—O5—H5118.4H13B—C13—H13C109.5

Symmetry codes: (i) −x+2, −y, −z+2.

Hydrogen-bond geometry (Å, °)

D—H···AD—HH···AD···AD—H···A
N4—H4B···O8ii0.862.293.094 (8)156
N8—H8A···O6iii0.862.513.066 (9)123
N8—H8B···O13iii0.862.543.186 (8)132
N12—H12B···O11iv0.862.253.027 (9)151
O2—H2···O12v0.822.362.926 (10)127
O2—H2···O5i0.822.403.045 (6)136
O4—H4···O9vi0.821.902.702 (9)166
O5—H5···N2i0.822.002.817 (6)172
O13—H13···O1iii0.822.072.834 (7)155

Symmetry codes: (ii) x+1, y, z; (iii) −x+3/2, y−1/2, −z+3/2; (iv) x−1/2, −y+1/2, z+1/2; (v) x+1/2, −y+1/2, z+1/2; (i) −x+2, −y, −z+2; (vi) x+1, y−1, z.

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: KP2150).

References

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