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Acta Crystallogr Sect E Struct Rep Online. 2010 October 1; 66(Pt 10): m1220–m1221.
Published online 2010 September 8. doi:  10.1107/S1600536810035270
PMCID: PMC2983205

Poly[[tris­(N,N-dimethyl­formamide)(μ4-5-nitro­isophthalato)(μ3-5-nitro­isophthalato)dicobalt(II)] N,N-dimethyl­formamide monosolvate]

Abstract

In the polymeric title compound, [Co2(C3H7NO)3(C8H3NO6)2]·C3H7NO, one 5-nitro­isophthalate dianion has its two carboxyl­ate groups chelating to one CoII atom while simultaneously coordinating to another metal atom in a μ4-bridging mode. The other 5-nitro­isophthalte dianion has one carboxyl­ate group chelating to a metal atom whereas the other bridges two metal atoms in a μ3-bridging mode. Both metal atoms show an octa­hedral coordination. The polymer adopts a layer motif, with the lattice dimethyl­formamide mol­ecules occupying the space between adjacent layers.

Related literature

For adducts of cobalt 5-nitro­isophthalate, see: Chen et al. (2006 [triangle]); Du et al. (2008 [triangle]); Guo et al. (2006 [triangle]); Liu et al. (2008 [triangle]); Luo et al. (2003 [triangle]); Wang et al. (2008 [triangle], 2009 [triangle]); Xie et al. (2006 [triangle]); Ye et al. (2008a [triangle],b [triangle]); Yuan et al. (2009 [triangle]); Zhou et al. (2004 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-66-m1220-scheme1.jpg

Experimental

Crystal data

  • [Co2(C3H7NO)3(C8H3NO6)2]·C3H7NO
  • M r = 828.47
  • Monoclinic, An external file that holds a picture, illustration, etc.
Object name is e-66-m1220-efi1.jpg
  • a = 10.0833 (12) Å
  • b = 17.0887 (19) Å
  • c = 21.074 (2) Å
  • β = 92.910 (2)°
  • V = 3626.7 (7) Å3
  • Z = 4
  • Mo Kα radiation
  • μ = 0.99 mm−1
  • T = 293 K
  • 0.40 × 0.30 × 0.30 mm

Data collection

  • Bruker SMART diffractometer
  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996 [triangle]) T min = 0.796, T max = 1
  • 21143 measured reflections
  • 7876 independent reflections
  • 5128 reflections with I > 2σ(I)
  • R int = 0.036

Refinement

  • R[F 2 > 2σ(F 2)] = 0.048
  • wR(F 2) = 0.132
  • S = 0.99
  • 7876 reflections
  • 477 parameters
  • 54 restraints
  • H-atom parameters constrained
  • Δρmax = 0.57 e Å−3
  • Δρmin = −0.45 e Å−3

Data collection: SMART (Bruker, 1999 [triangle]); cell refinement: SAINT (Bruker, 1999 [triangle]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 [triangle]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 [triangle]); molecular graphics: OLEX (Dolomanov et al., 2003 [triangle]) and X-SEED (Barbour, 2001 [triangle]); software used to prepare material for publication: publCIF (Westrip, 2010 [triangle]).

Table 1
Selected bond lengths (Å)

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810035270/bt5344sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810035270/bt5344Isup2.hkl

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

Acknowledgments

We thank the National Science Foundation of China (No. J0830412) and the University of Malaya for supporting this study.

supplementary crystallographic information

Comment

Cobalt 5-nitroisophthalate forms a number of adducts with neutral ligands (Chen et al., 2006; Du et al., 2008; Guo et al., 2006; Liu et al., 2008; Luo et al., 2003; Wang et al., 2008; Wang et al., 2009; Xie et al., 2006; Ye et al., 2008a; Ye et al., 2008b; Yuan et al., 2009; Zhou et al., 2004). The structure of the parent coordination polymer has not been reported. The attempt to synthesize this compound by using DMF as the solvent gave instead the DMF-coordinated polymer, who crystallizes as a DMF solvate (Scheme I).

In polymeric Co2(DFM)3(C8H3NO6)2.DMF, the 5-nitroisophthalate units show different binding modes. With one dianion, each carboxyl –CO2 fragment chelate to one cobalt(II) atom while simultaneously coordinating to another metal atom, i.e., this dianion functions in a µ4-bridging mode. With the other, one carboxyl fragment chelates to a metal atom whereas the other bridges two metal atoms, the dianion functioning in a µ3-bridging mode. Both metal atoms show octahedral coordination. Of the two indepent metal atoms, one is coordinated by three DMF molecules. The bridging mode exercised by the dianion gives rise to a layer motif (Fig. 1). The lattice DMF molecules occupy the space between adjacent layers.

Experimental

Cobalt(II) nitrate hexahydrate (0.5 mmol, 0.146 g) and 5-nitroisophthalic acid (0.5 mmol, 0.106 g) were dissolved in DMF (2 ml); triethylamine was allowed to diffuse into the solution. Purple crystals were obtained in 30% yield after one week.

Refinement

H-atoms were placed in calculated positions [C–H 0.93–0.96 Å, U(H) 1.2–1.5U(C)] and were included in the refinement in the riding model approximation.

For the coordinated and lattice DMF molecules, the C–O distance was restrained to 1.25±0.01 Å, the N–Ccarbonyl distance to 1.35±0.01 and the N–Cmethyl distances to 1.45±0.01 Å; the molecule was restrained to lie on a plane to within 0.01 Å. For the lattice DMF molecule, the anisotropic displacement parameters of the non-H atoms were restrained to be nearly isotropic.

Figures

Fig. 1.
Anisotropic displacement ellipsoid plot (Barbour, 2001) of a portion of the layer structure of Co2(DMF)3(C8H3NO6)2.DMF at the 50% probability level; hydrogen atoms are drawn as spheres of arbitrary radius. Symmetry codes are given in Table 1.

Crystal data

[Co2(C3H7NO)3(C8H3NO6)2]·C3H7NOF(000) = 1704
Mr = 828.47Dx = 1.517 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 1014 reflections
a = 10.0833 (12) Åθ = 2.3–26.7°
b = 17.0887 (19) ŵ = 0.99 mm1
c = 21.074 (2) ÅT = 293 K
β = 92.910 (2)°Block, purple
V = 3626.7 (7) Å30.40 × 0.30 × 0.30 mm
Z = 4

Data collection

Bruker SMART diffractometer7876 independent reflections
Radiation source: fine-focus sealed tube5128 reflections with I > 2σ(I)
graphiteRint = 0.036
ω scansθmax = 27.0°, θmin = 2.0°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)h = −12→11
Tmin = 0.796, Tmax = 1k = −21→20
21143 measured reflectionsl = −24→26

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) = 0.132H-atom parameters constrained
S = 0.99w = 1/[σ2(Fo2) + (0.0741P)2 + 0.1674P] where P = (Fo2 + 2Fc2)/3
7876 reflections(Δ/σ)max = 0.001
477 parametersΔρmax = 0.57 e Å3
54 restraintsΔρmin = −0.45 e Å3

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

xyzUiso*/Ueq
Co10.54070 (4)0.62850 (2)0.36883 (2)0.03535 (14)
Co20.75875 (4)0.69413 (2)0.25276 (2)0.03577 (14)
O10.7161 (2)0.61369 (15)0.41609 (12)0.0509 (6)
O20.8391 (2)0.65261 (16)0.33703 (12)0.0536 (7)
O31.3188 (2)0.63449 (18)0.35333 (13)0.0615 (8)
O41.4234 (2)0.60440 (14)0.44350 (11)0.0452 (6)
O51.1571 (3)0.5635 (2)0.63158 (14)0.0841 (10)
O60.9466 (3)0.5792 (2)0.62357 (14)0.0890 (11)
O70.5916 (2)0.62286 (13)0.25975 (14)0.0584 (7)
O80.5266 (3)0.52567 (16)0.31596 (14)0.0641 (8)
O90.3476 (2)0.28716 (13)0.21118 (12)0.0447 (6)
O100.4601 (3)0.24599 (14)0.12880 (13)0.0548 (7)
O110.6418 (4)0.4515 (2)−0.00474 (17)0.0982 (12)
O120.7008 (6)0.5587 (3)0.0369 (2)0.160 (2)
O130.8704 (3)0.60593 (15)0.20713 (13)0.0634 (8)
O140.9230 (3)0.76957 (15)0.25177 (13)0.0619 (7)
O150.6900 (3)0.72766 (15)0.16294 (12)0.0599 (7)
O161.0622 (10)0.7746 (4)0.5743 (4)0.236 (4)
N11.0547 (3)0.5774 (2)0.60062 (15)0.0565 (8)
N20.6509 (4)0.4948 (3)0.03991 (19)0.0781 (11)
N31.0517 (3)0.53017 (18)0.20161 (17)0.0715 (11)
N41.1460 (3)0.7832 (2)0.24308 (18)0.0788 (11)
N50.6043 (3)0.82156 (18)0.09718 (13)0.0572 (9)
N60.9621 (7)0.8134 (3)0.4885 (3)0.1170 (18)
C10.8239 (3)0.62893 (19)0.39168 (17)0.0385 (8)
C20.9490 (3)0.61717 (18)0.43297 (16)0.0361 (7)
C31.0713 (3)0.62258 (19)0.40590 (16)0.0390 (8)
H31.07520.63460.36300.047*
C41.1879 (3)0.6102 (2)0.44235 (16)0.0381 (8)
C51.1835 (3)0.5940 (2)0.50582 (16)0.0411 (8)
H51.26120.58510.53050.049*
C61.0611 (3)0.5913 (2)0.53248 (16)0.0399 (8)
C70.9434 (3)0.60096 (19)0.49684 (16)0.0394 (8)
H70.86210.59660.51550.047*
C81.3176 (3)0.6162 (2)0.41043 (18)0.0411 (8)
C90.5582 (3)0.5522 (2)0.2641 (2)0.0454 (9)
C100.5511 (3)0.50093 (19)0.20667 (17)0.0400 (8)
C110.4916 (3)0.42749 (18)0.21119 (16)0.0389 (8)
H110.45620.41270.24930.047*
C120.4843 (3)0.37624 (18)0.16031 (16)0.0374 (7)
C130.5376 (3)0.3984 (2)0.10396 (17)0.0458 (9)
H130.53580.36460.06940.055*
C140.5937 (4)0.4717 (2)0.10006 (18)0.0525 (10)
C150.6007 (4)0.5237 (2)0.15018 (18)0.0509 (9)
H150.63820.57300.14580.061*
C160.4250 (3)0.29629 (19)0.16771 (17)0.0391 (8)
C170.9538 (4)0.5620 (2)0.2306 (2)0.0616 (11)
H170.94740.54990.27340.074*
C181.0674 (8)0.5465 (4)0.1361 (3)0.180 (4)
H18A1.00400.58550.12190.269*
H18B1.05320.49960.11170.269*
H18C1.15560.56560.13060.269*
C191.1493 (5)0.4793 (3)0.2333 (3)0.132 (3)
H19A1.12190.46700.27510.198*
H19B1.23370.50540.23650.198*
H19C1.15690.43190.20920.198*
C201.0260 (4)0.7575 (2)0.2246 (2)0.0653 (11)
H201.01930.72760.18770.078*
C211.1625 (6)0.8289 (5)0.2992 (3)0.167 (4)
H21A1.08660.82240.32440.250*
H21B1.17100.88310.28800.250*
H21C1.24090.81230.32320.250*
C221.2638 (5)0.7666 (4)0.2097 (3)0.123 (2)
H22A1.23990.73910.17110.184*
H22B1.32280.73490.23600.184*
H22C1.30710.81480.19990.184*
C230.6784 (3)0.7969 (2)0.14649 (15)0.0503 (9)
H230.72520.83420.17070.060*
C240.5276 (6)0.7661 (3)0.0572 (2)0.099 (2)
H24A0.54590.71380.07160.149*
H24B0.55200.77130.01390.149*
H24C0.43460.77690.05970.149*
C250.5940 (4)0.9038 (2)0.08090 (19)0.0641 (11)
H25A0.65640.93320.10730.096*
H25B0.50560.92180.08750.096*
H25C0.61320.91080.03710.096*
C260.9403 (11)0.7817 (4)0.5443 (5)0.175 (4)
H260.85890.76730.55960.210*
C271.0928 (11)0.8320 (7)0.4728 (6)0.267 (6)
H27A1.15420.81430.50610.400*
H27B1.10090.88760.46800.400*
H27C1.11230.80660.43370.400*
C280.8669 (10)0.8325 (5)0.4374 (4)0.176 (4)
H28A0.78260.80960.44560.265*
H28B0.89720.81240.39810.265*
H28C0.85770.88840.43440.265*

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
Co10.0234 (2)0.0368 (2)0.0459 (3)−0.00044 (18)0.00267 (17)0.0023 (2)
Co20.0301 (2)0.0324 (2)0.0445 (3)0.00062 (18)−0.00140 (18)0.00308 (19)
O10.0218 (12)0.0657 (16)0.0653 (17)−0.0010 (11)0.0021 (11)0.0089 (13)
O20.0333 (14)0.0776 (18)0.0495 (16)0.0072 (13)−0.0015 (11)0.0134 (14)
O30.0308 (14)0.105 (2)0.0496 (17)−0.0015 (14)0.0063 (11)0.0135 (15)
O40.0236 (12)0.0602 (15)0.0515 (15)0.0024 (11)0.0001 (10)0.0052 (12)
O50.073 (2)0.128 (3)0.0500 (18)0.019 (2)−0.0080 (15)0.0166 (18)
O60.066 (2)0.144 (3)0.059 (2)0.004 (2)0.0244 (16)0.0161 (19)
O70.0414 (15)0.0348 (13)0.098 (2)−0.0069 (11)−0.0058 (14)−0.0051 (13)
O80.075 (2)0.0554 (17)0.0625 (19)−0.0133 (15)0.0114 (15)−0.0148 (14)
O90.0435 (14)0.0315 (12)0.0598 (16)−0.0068 (10)0.0106 (12)−0.0034 (11)
O100.0599 (17)0.0379 (14)0.0683 (18)−0.0077 (12)0.0183 (13)−0.0083 (13)
O110.128 (3)0.104 (3)0.066 (2)−0.006 (2)0.035 (2)0.008 (2)
O120.243 (6)0.148 (4)0.096 (3)−0.123 (4)0.055 (3)0.006 (3)
O130.0591 (18)0.0579 (16)0.0722 (19)0.0208 (14)−0.0057 (14)−0.0053 (14)
O140.0412 (15)0.0610 (17)0.085 (2)−0.0156 (13)0.0186 (14)−0.0011 (15)
O150.080 (2)0.0464 (15)0.0516 (16)0.0092 (14)−0.0116 (14)0.0047 (13)
O160.329 (8)0.147 (5)0.223 (6)0.002 (6)−0.068 (6)−0.057 (5)
N10.054 (2)0.070 (2)0.046 (2)0.0064 (17)0.0045 (17)0.0046 (16)
N20.087 (3)0.089 (3)0.059 (3)−0.026 (2)0.013 (2)0.011 (2)
N30.072 (3)0.068 (2)0.077 (3)0.031 (2)0.028 (2)0.009 (2)
N40.045 (2)0.097 (3)0.095 (3)−0.014 (2)0.008 (2)0.003 (2)
N50.067 (2)0.0534 (19)0.0494 (19)0.0082 (17)−0.0100 (16)0.0036 (15)
N60.134 (5)0.098 (4)0.120 (4)−0.012 (3)0.020 (4)−0.034 (3)
C10.0256 (17)0.0405 (18)0.049 (2)0.0047 (14)0.0006 (14)0.0002 (16)
C20.0226 (15)0.0384 (17)0.047 (2)0.0009 (13)0.0020 (13)0.0032 (15)
C30.0296 (17)0.0478 (19)0.0393 (19)−0.0016 (15)0.0001 (14)0.0044 (15)
C40.0255 (16)0.0474 (19)0.041 (2)−0.0011 (14)0.0003 (13)0.0005 (15)
C50.0293 (17)0.0479 (19)0.046 (2)0.0005 (15)−0.0047 (14)−0.0006 (16)
C60.0349 (18)0.0449 (19)0.0397 (19)0.0038 (15)0.0018 (14)0.0041 (15)
C70.0262 (17)0.0438 (18)0.049 (2)0.0032 (14)0.0089 (14)0.0034 (16)
C80.0228 (17)0.049 (2)0.052 (2)−0.0035 (14)0.0025 (15)0.0001 (17)
C90.0286 (18)0.038 (2)0.069 (3)−0.0006 (15)−0.0030 (17)−0.0078 (18)
C100.0320 (18)0.0347 (17)0.053 (2)−0.0024 (14)0.0014 (15)0.0011 (16)
C110.0298 (17)0.0367 (18)0.050 (2)−0.0007 (14)0.0031 (14)0.0028 (15)
C120.0287 (16)0.0349 (17)0.048 (2)0.0004 (14)−0.0018 (14)−0.0023 (15)
C130.043 (2)0.047 (2)0.047 (2)−0.0009 (17)−0.0013 (16)−0.0033 (17)
C140.050 (2)0.057 (2)0.051 (2)−0.0101 (19)0.0047 (18)0.0104 (19)
C150.049 (2)0.0386 (19)0.065 (3)−0.0122 (17)−0.0025 (18)0.0105 (18)
C160.0316 (18)0.0357 (18)0.049 (2)−0.0005 (14)−0.0046 (15)−0.0023 (16)
C170.062 (3)0.062 (3)0.061 (3)0.009 (2)0.009 (2)0.006 (2)
C180.281 (11)0.150 (7)0.117 (6)0.123 (7)0.099 (6)0.046 (5)
C190.105 (5)0.165 (6)0.128 (5)0.084 (5)0.029 (4)0.041 (5)
C200.051 (3)0.071 (3)0.073 (3)−0.015 (2)0.001 (2)−0.007 (2)
C210.084 (5)0.256 (10)0.159 (7)−0.058 (6)−0.004 (4)−0.110 (7)
C220.049 (3)0.177 (7)0.146 (6)−0.008 (4)0.026 (3)−0.008 (5)
C230.054 (2)0.054 (2)0.043 (2)0.0032 (19)0.0003 (17)0.0010 (18)
C240.136 (5)0.072 (3)0.085 (4)0.001 (3)−0.055 (3)−0.002 (3)
C250.076 (3)0.059 (3)0.057 (3)0.015 (2)−0.005 (2)0.009 (2)
C260.238 (9)0.122 (6)0.169 (7)−0.015 (6)0.044 (7)−0.062 (6)
C270.241 (10)0.278 (10)0.282 (10)−0.034 (8)0.011 (8)−0.061 (8)
C280.197 (8)0.158 (6)0.171 (7)0.023 (6)−0.014 (6)−0.016 (6)

Geometric parameters (Å, °)

Co1—O12.001 (2)C2—C31.388 (4)
Co1—O3i2.247 (2)C3—C41.387 (4)
Co1—O4i2.058 (2)C3—H30.9300
Co1—O72.383 (3)C4—C51.369 (5)
Co1—C8i2.465 (3)C4—C81.504 (4)
Co1—O82.082 (3)C5—C61.383 (5)
Co1—O10ii2.008 (2)C5—H50.9300
Co2—O22.042 (2)C6—C71.382 (4)
Co2—O72.091 (2)C7—H70.9300
Co2—O9ii2.082 (2)C8—Co1iii2.465 (3)
Co2—O132.139 (3)C9—C101.493 (5)
Co2—O142.100 (2)C10—C151.371 (5)
Co2—O152.063 (2)C10—C111.396 (4)
O1—C11.253 (4)C11—C121.383 (5)
O2—C11.238 (4)C11—H110.9300
O3—C81.244 (4)C12—C131.381 (5)
O3—Co1iii2.247 (2)C12—C161.503 (4)
O4—C81.260 (4)C13—C141.379 (5)
O4—Co1iii2.058 (2)C13—H130.9300
O5—N11.216 (4)C14—C151.379 (5)
O6—N11.215 (4)C15—H150.9300
O7—C91.259 (4)C17—H170.9300
O8—C91.240 (4)C18—H18A0.9600
O9—C161.243 (4)C18—H18B0.9600
O9—Co2iv2.082 (2)C18—H18C0.9600
O10—C161.251 (4)C19—H19A0.9600
O10—Co1iv2.008 (2)C19—H19B0.9600
O11—N21.196 (5)C19—H19C0.9600
O12—N21.206 (5)C20—H200.9300
O13—C171.214 (4)C21—H21A0.9600
O14—C201.229 (4)C21—H21B0.9600
O15—C231.237 (4)C21—H21C0.9600
O16—C261.359 (8)C22—H22A0.9600
N1—C61.460 (5)C22—H22B0.9600
N2—C141.473 (5)C22—H22C0.9600
N3—C171.305 (5)C23—H230.9300
N3—C181.426 (6)C24—H24A0.9600
N3—C191.450 (5)C24—H24B0.9600
N4—C201.326 (5)C24—H24C0.9600
N4—C211.421 (6)C25—H25A0.9600
N4—C221.439 (5)C25—H25B0.9600
N5—C231.318 (4)C25—H25C0.9600
N5—C251.449 (4)C26—H260.9300
N5—C241.463 (5)C27—H27A0.9600
N6—C261.322 (8)C27—H27B0.9600
N6—C271.411 (8)C27—H27C0.9600
N6—C281.444 (7)C28—H28A0.9600
C1—C21.509 (4)C28—H28B0.9600
C2—C71.378 (5)C28—H28C0.9600
O1—Co1—O10ii96.82 (11)O3—C8—C4120.1 (3)
O1—Co1—O4i97.00 (10)O4—C8—C4118.2 (3)
O10ii—Co1—O4i100.24 (10)O3—C8—Co1iii65.20 (18)
O1—Co1—O8101.20 (11)O4—C8—Co1iii56.52 (16)
O10ii—Co1—O8148.98 (12)C4—C8—Co1iii174.2 (3)
O4i—Co1—O8102.36 (11)O8—C9—O7119.8 (4)
O1—Co1—O3i157.87 (10)O8—C9—C10119.8 (3)
O10ii—Co1—O3i87.29 (11)O7—C9—C10120.4 (4)
O4i—Co1—O3i60.88 (9)C15—C10—C11119.5 (3)
O8—Co1—O3i85.42 (12)C15—C10—C9122.2 (3)
O1—Co1—O7104.29 (10)C11—C10—C9118.4 (3)
O10ii—Co1—O793.78 (9)C12—C11—C10121.5 (3)
O4i—Co1—O7152.88 (9)C12—C11—H11119.3
O8—Co1—O757.43 (10)C10—C11—H11119.3
O3i—Co1—O797.09 (9)C13—C12—C11119.0 (3)
O1—Co1—C8i127.71 (11)C13—C12—C16120.9 (3)
O10ii—Co1—C8i94.08 (11)C11—C12—C16120.1 (3)
O4i—Co1—C8i30.72 (10)C14—C13—C12118.6 (3)
O8—Co1—C8i94.58 (11)C14—C13—H13120.7
O3i—Co1—C8i30.16 (10)C12—C13—H13120.7
O7—Co1—C8i125.81 (10)C13—C14—C15123.0 (3)
O2—Co2—O15173.94 (11)C13—C14—N2118.3 (4)
O2—Co2—O9ii97.87 (10)C15—C14—N2118.7 (4)
O15—Co2—O9ii88.15 (10)C10—C15—C14118.3 (3)
O2—Co2—O791.26 (11)C10—C15—H15120.8
O15—Co2—O789.54 (11)C14—C15—H15120.8
O9ii—Co2—O789.27 (10)O9—C16—O10127.3 (3)
O2—Co2—O1486.77 (11)O9—C16—C12117.3 (3)
O15—Co2—O1492.79 (11)O10—C16—C12115.4 (3)
O9ii—Co2—O1487.47 (10)O13—C17—N3126.3 (4)
O7—Co2—O14175.92 (11)O13—C17—H17116.9
O2—Co2—O1387.22 (11)N3—C17—H17116.9
O15—Co2—O1386.74 (10)N3—C18—H18A109.5
O9ii—Co2—O13174.03 (10)N3—C18—H18B109.5
O7—Co2—O1393.76 (11)H18A—C18—H18B109.5
O14—Co2—O1389.71 (11)N3—C18—H18C109.5
C1—O1—Co1122.2 (2)H18A—C18—H18C109.5
C1—O2—Co2149.4 (2)H18B—C18—H18C109.5
C8—O3—Co1iii84.64 (19)N3—C19—H19A109.5
C8—O4—Co1iii92.8 (2)N3—C19—H19B109.5
C9—O7—Co2141.6 (2)H19A—C19—H19B109.5
C9—O7—Co184.1 (2)N3—C19—H19C109.5
Co2—O7—Co1104.97 (11)H19A—C19—H19C109.5
C9—O8—Co198.6 (2)H19B—C19—H19C109.5
C16—O9—Co2iv136.0 (2)O14—C20—N4126.0 (4)
C16—O10—Co1iv132.0 (2)O14—C20—H20117.0
C17—O13—Co2128.5 (3)N4—C20—H20117.0
C20—O14—Co2126.0 (3)N4—C21—H21A109.5
C23—O15—Co2123.1 (2)N4—C21—H21B109.5
O6—N1—O5123.1 (4)H21A—C21—H21B109.5
O6—N1—C6118.2 (3)N4—C21—H21C109.5
O5—N1—C6118.7 (3)H21A—C21—H21C109.5
O11—N2—O12122.3 (4)H21B—C21—H21C109.5
O11—N2—C14119.6 (4)N4—C22—H22A109.5
O12—N2—C14118.1 (4)N4—C22—H22B109.5
C17—N3—C18119.7 (4)H22A—C22—H22B109.5
C17—N3—C19123.1 (4)N4—C22—H22C109.5
C18—N3—C19117.2 (4)H22A—C22—H22C109.5
C20—N4—C21119.5 (4)H22B—C22—H22C109.5
C20—N4—C22123.7 (4)O15—C23—N5124.7 (4)
C21—N4—C22116.8 (5)O15—C23—H23117.6
C23—N5—C25121.9 (3)N5—C23—H23117.6
C23—N5—C24120.6 (3)N5—C24—H24A109.5
C25—N5—C24117.5 (3)N5—C24—H24B109.5
C26—N6—C27120.0 (9)H24A—C24—H24B109.5
C26—N6—C28128.5 (9)N5—C24—H24C109.5
C27—N6—C28111.6 (9)H24A—C24—H24C109.5
O2—C1—O1126.9 (3)H24B—C24—H24C109.5
O2—C1—C2116.1 (3)N5—C25—H25A109.5
O1—C1—C2116.9 (3)N5—C25—H25B109.5
C7—C2—C3119.8 (3)H25A—C25—H25B109.5
C7—C2—C1121.0 (3)N5—C25—H25C109.5
C3—C2—C1119.2 (3)H25A—C25—H25C109.5
C4—C3—C2120.5 (3)H25B—C25—H25C109.5
C4—C3—H3119.7N6—C26—O16105.3 (9)
C2—C3—H3119.7N6—C26—H26127.4
C5—C4—C3120.2 (3)O16—C26—H26127.4
C5—C4—C8121.5 (3)N6—C27—H27A109.5
C3—C4—C8118.3 (3)N6—C27—H27B109.5
C4—C5—C6118.5 (3)H27A—C27—H27B109.5
C4—C5—H5120.7N6—C27—H27C109.5
C6—C5—H5120.7H27A—C27—H27C109.5
C7—C6—C5122.4 (3)H27B—C27—H27C109.5
C7—C6—N1118.3 (3)N6—C28—H28A109.5
C5—C6—N1119.3 (3)N6—C28—H28B109.5
C2—C7—C6118.5 (3)H28A—C28—H28B109.5
C2—C7—H7120.7N6—C28—H28C109.5
C6—C7—H7120.7H28A—C28—H28C109.5
O3—C8—O4121.7 (3)H28B—C28—H28C109.5
O10ii—Co1—O1—C1−72.3 (3)C4—C5—C6—C72.9 (5)
O4i—Co1—O1—C1−173.5 (3)C4—C5—C6—N1−177.5 (3)
O8—Co1—O1—C182.4 (3)O6—N1—C6—C7−4.0 (5)
O3i—Co1—O1—C1−171.9 (3)O5—N1—C6—C7175.0 (4)
O7—Co1—O1—C123.4 (3)O6—N1—C6—C5176.3 (4)
C8i—Co1—O1—C1−172.8 (2)O5—N1—C6—C5−4.7 (5)
O9ii—Co2—O2—C153.7 (5)C3—C2—C7—C60.7 (5)
O7—Co2—O2—C1−35.7 (5)C1—C2—C7—C6−179.5 (3)
O14—Co2—O2—C1140.7 (5)C5—C6—C7—C2−2.8 (5)
O13—Co2—O2—C1−129.4 (5)N1—C6—C7—C2177.5 (3)
O2—Co2—O7—C9−59.1 (5)Co1iii—O3—C8—O4−0.7 (3)
O15—Co2—O7—C9114.8 (5)Co1iii—O3—C8—C4177.4 (3)
O9ii—Co2—O7—C9−157.0 (5)Co1iii—O4—C8—O30.7 (4)
O13—Co2—O7—C928.1 (5)Co1iii—O4—C8—C4−177.4 (3)
O2—Co2—O7—Co140.41 (11)C5—C4—C8—O3−176.8 (3)
O15—Co2—O7—Co1−145.60 (11)C3—C4—C8—O32.4 (5)
O9ii—Co2—O7—Co1−57.44 (10)C5—C4—C8—O41.4 (5)
O13—Co2—O7—Co1127.70 (10)C3—C4—C8—O4−179.5 (3)
O1—Co1—O7—C996.0 (2)Co1—O8—C9—O73.2 (4)
O10ii—Co1—O7—C9−166.0 (2)Co1—O8—C9—C10−174.3 (3)
O4i—Co1—O7—C9−44.6 (3)Co2—O7—C9—O8103.9 (5)
O8—Co1—O7—C91.7 (2)Co1—O7—C9—O8−2.8 (3)
O3i—Co1—O7—C9−78.2 (2)Co2—O7—C9—C10−78.5 (5)
C8i—Co1—O7—C9−68.2 (2)Co1—O7—C9—C10174.8 (3)
O1—Co1—O7—Co2−46.01 (12)O8—C9—C10—C15−171.4 (3)
O10ii—Co1—O7—Co252.01 (12)O7—C9—C10—C1511.1 (5)
O4i—Co1—O7—Co2173.32 (15)O8—C9—C10—C118.6 (5)
O8—Co1—O7—Co2−140.32 (15)O7—C9—C10—C11−168.9 (3)
O3i—Co1—O7—Co2139.75 (11)C15—C10—C11—C121.5 (5)
C8i—Co1—O7—Co2149.80 (11)C9—C10—C11—C12−178.5 (3)
O1—Co1—O8—C9−101.7 (2)C10—C11—C12—C130.3 (5)
O10ii—Co1—O8—C922.7 (4)C10—C11—C12—C16177.3 (3)
O4i—Co1—O8—C9158.5 (2)C11—C12—C13—C14−1.5 (5)
O3i—Co1—O8—C999.7 (2)C16—C12—C13—C14−178.5 (3)
O7—Co1—O8—C9−1.7 (2)C12—C13—C14—C150.9 (6)
C8i—Co1—O8—C9128.4 (2)C12—C13—C14—N2179.7 (3)
O2—Co2—O13—C17−7.4 (3)O11—N2—C14—C133.7 (7)
O15—Co2—O13—C17172.2 (3)O12—N2—C14—C13−179.4 (5)
O7—Co2—O13—C17−98.5 (3)O11—N2—C14—C15−177.5 (4)
O14—Co2—O13—C1779.4 (3)O12—N2—C14—C15−0.6 (7)
O2—Co2—O14—C2095.1 (3)C11—C10—C15—C14−2.0 (5)
O15—Co2—O14—C20−78.8 (3)C9—C10—C15—C14178.0 (3)
O9ii—Co2—O14—C20−166.9 (3)C13—C14—C15—C100.8 (6)
O13—Co2—O14—C207.9 (3)N2—C14—C15—C10−177.9 (4)
O9ii—Co2—O15—C2338.7 (2)Co2iv—O9—C16—O102.3 (6)
O7—Co2—O15—C23128.0 (2)Co2iv—O9—C16—C12−177.6 (2)
O14—Co2—O15—C23−48.7 (2)C13—C12—C16—O9−160.5 (3)
O13—Co2—O15—C23−138.2 (2)C11—C12—C16—O922.5 (5)
Co2—O2—C1—O18.8 (8)C13—C12—C16—O1019.6 (5)
Co2—O2—C1—C2−171.4 (4)C11—C12—C16—O10−157.4 (3)
Co1—O1—C1—O2−1.7 (5)Co2—O13—C17—N3−153.3 (3)
Co1—O1—C1—C2178.5 (2)C18—N3—C17—O130.2 (4)
O2—C1—C2—C7171.4 (3)C19—N3—C17—O13178.7 (3)
O1—C1—C2—C7−8.7 (5)Co2—O14—C20—N4−149.3 (3)
O2—C1—C2—C3−8.8 (5)C21—N4—C20—O140.2 (3)
O1—C1—C2—C3171.1 (3)C22—N4—C20—O14179.4 (3)
C7—C2—C3—C41.3 (5)Co2—O15—C23—N5−161.2 (2)
C1—C2—C3—C4−178.5 (3)C25—N5—C23—O15179.4 (3)
C2—C3—C4—C5−1.3 (5)C24—N5—C23—O150.2 (3)
C2—C3—C4—C8179.6 (3)C27—N6—C26—O16−0.3 (3)
C3—C4—C5—C6−0.7 (5)C28—N6—C26—O16179.0 (3)
C8—C4—C5—C6178.4 (3)

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

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BT5344).

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