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The crystal structure of the title complex, [Co(C9H7O5)2(C10H8N2)2(H2O)2]·4H2O or [Co(4-CPOAH)2(4,4′-bipy)2(H2O)2]·4H2O (4,4′-bipy is 4,4′-bipyridine and 4-CPOAH is the 4-carboxy­phenoxy­acetate monoanion), consists of two independent mononuclear mol­ecules that inter­act through the uncoordinated water mol­ecules. The CoII atoms lie on inversion centers and display an octa­hedral geometry defined by two oxyacetate O atoms of 4-CPOAH groups, two N atoms of 4,4′-bipy ligands and two water mol­ecules. A three-dimensional supramolecular network structure is formed through hydrogen-bonding inter­actions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805036172/ng6234sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805036172/ng6234Isup2.hkl
Contains datablock I

CCDC reference: 293964

Key indicators

  • Single-crystal X-ray study
  • T = 295 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.042
  • wR factor = 0.120
  • Data-to-parameter ratio = 15.0

checkCIF/PLATON results

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Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.14 PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Co1 - O1 .. 5.04 su PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 12 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 3 H2 O PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 4 H2 O PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 6 H2 O
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 7 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

Diaquabis(4,4'-bipyridine-κN)bis(4-carboxyphenoxyacetato-κO)cobalt(II) tetrahydrate top
Crystal data top
[Co(C9H7O5)2(C10H8N2)2(H2O)2]·4H2OZ = 2
Mr = 869.69F(000) = 906
Triclinic, P1Dx = 1.528 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 10.807 (2) ÅCell parameters from 13808 reflections
b = 12.614 (3) Åθ = 3.2–27.5°
c = 16.055 (3) ŵ = 0.54 mm1
α = 103.89 (3)°T = 295 K
β = 108.77 (3)°Prism, pink
γ = 103.69 (3)°0.36 × 0.26 × 0.21 mm
V = 1890.7 (10) Å3
Data collection top
Rigaku R-AXIS RAPID
diffractometer
8539 independent reflections
Radiation source: fine-focus sealed tube5898 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.026
Detector resolution: 10.000 pixels mm-1θmax = 27.5°, θmin = 3.2°
ω scansh = 1314
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
k = 1416
Tmin = 0.830, Tmax = 0.895l = 2020
18606 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.042Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.121H atoms treated by a mixture of independent and constrained refinement
S = 1.03 w = 1/[σ2(Fo2) + (0.0687P)2 + 0.0415P]
where P = (Fo2 + 2Fc2)/3
8539 reflections(Δ/σ)max = 0.001
571 parametersΔρmax = 0.58 e Å3
20 restraintsΔρmin = 0.27 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Co10.00000.50000.00000.03434 (12)
Co20.50000.50000.50000.02845 (11)
O1w0.16129 (19)0.49029 (15)0.11920 (11)0.0485 (4)
O2w0.66883 (16)0.50357 (11)0.62040 (10)0.0335 (3)
O3w0.06148 (19)0.53217 (16)0.38237 (12)0.0560 (5)
O4w0.1161 (2)0.35286 (14)0.54785 (14)0.0556 (5)
O5w0.5537 (2)0.42027 (17)0.85009 (13)0.0643 (5)
O6w0.3598 (3)1.40440 (17)0.01638 (16)0.0681 (6)
O10.13775 (18)0.50999 (13)0.06673 (11)0.0453 (4)
O20.03514 (19)0.56041 (15)0.18875 (11)0.0486 (4)
O30.2889 (2)0.66067 (13)0.19266 (12)0.0499 (4)
O40.4586 (2)1.19570 (15)0.13529 (15)0.0619 (5)
O50.3427 (2)1.18773 (15)0.04336 (14)0.0614 (5)
O60.44795 (19)0.45236 (17)0.68926 (13)0.0566 (5)
O70.35230 (16)0.47742 (12)0.55357 (11)0.0386 (3)
O80.18815 (19)0.38308 (13)0.69630 (12)0.0479 (4)
O90.0218 (2)0.15034 (15)0.65095 (14)0.0586 (5)
O100.1493 (2)0.13939 (15)0.56639 (14)0.0549 (5)
N10.0589 (2)0.31182 (14)0.04606 (12)0.0381 (4)
N20.2361 (3)0.30099 (17)0.21871 (15)0.0551 (6)
N30.55250 (18)0.68671 (13)0.55753 (12)0.0308 (4)
N40.6729 (2)1.29275 (15)0.65978 (15)0.0516 (5)
C10.1376 (2)0.55493 (16)0.12974 (15)0.0356 (5)
C20.2823 (3)0.60309 (19)0.12679 (17)0.0447 (6)
C30.3074 (2)0.77627 (18)0.16694 (15)0.0382 (5)
C40.2881 (3)0.8382 (2)0.09141 (16)0.0487 (6)
C50.3140 (3)0.9562 (2)0.07069 (16)0.0466 (6)
C60.3604 (2)1.01417 (19)0.12375 (16)0.0402 (5)
C70.3770 (2)0.9501 (2)0.20041 (16)0.0427 (5)
C80.3493 (2)0.8323 (2)0.22266 (16)0.0421 (5)
C90.3927 (2)1.1410 (2)0.10152 (17)0.0439 (5)
C100.1903 (2)0.24096 (17)0.09489 (15)0.0395 (5)
C110.2287 (2)0.12089 (17)0.12732 (15)0.0384 (5)
C120.1280 (2)0.06942 (17)0.10990 (14)0.0348 (5)
C130.0085 (3)0.14288 (19)0.05944 (17)0.0443 (5)
C140.0378 (3)0.26148 (19)0.02879 (17)0.0462 (6)
C150.1638 (2)0.05917 (17)0.14488 (14)0.0355 (5)
C160.2932 (3)0.13382 (19)0.16107 (16)0.0441 (5)
C170.3241 (3)0.2521 (2)0.19744 (18)0.0520 (6)
C180.1115 (3)0.2292 (2)0.20054 (18)0.0514 (6)
C190.0711 (3)0.10968 (19)0.16430 (16)0.0429 (5)
C200.3503 (2)0.45619 (16)0.62654 (15)0.0338 (5)
C210.2081 (3)0.4350 (2)0.62920 (17)0.0437 (5)
C220.1689 (2)0.26746 (19)0.67446 (15)0.0381 (5)
C230.1877 (3)0.20252 (19)0.60001 (16)0.0434 (5)
C240.1649 (2)0.08600 (19)0.58367 (16)0.0423 (5)
C250.1213 (2)0.03183 (19)0.64000 (15)0.0388 (5)
C260.1025 (2)0.0985 (2)0.71468 (16)0.0424 (5)
C270.1274 (3)0.2157 (2)0.73275 (16)0.0434 (5)
C280.0920 (2)0.0947 (2)0.62045 (17)0.0435 (5)
C290.6794 (2)0.76193 (16)0.58282 (14)0.0317 (4)
C300.7096 (2)0.88087 (16)0.60799 (14)0.0314 (4)
C310.6044 (2)0.92751 (16)0.60640 (13)0.0282 (4)
C320.4740 (2)0.84957 (16)0.58329 (15)0.0337 (4)
C330.4527 (2)0.73223 (17)0.56001 (15)0.0357 (5)
C340.6291 (2)1.05409 (15)0.62684 (13)0.0304 (4)
C350.7522 (3)1.13013 (18)0.63434 (18)0.0464 (6)
C360.7686 (3)1.24639 (19)0.6511 (2)0.0551 (7)
C370.5561 (3)1.22021 (19)0.65378 (17)0.0457 (6)
C380.5305 (3)1.10262 (17)0.63724 (15)0.0385 (5)
H1w10.137 (2)0.496 (2)0.1634 (14)0.073*
H1w20.2495 (11)0.467 (2)0.1390 (17)0.073*
H2w10.658 (3)0.4410 (11)0.6322 (15)0.050*
H2w20.679 (3)0.5571 (12)0.6685 (12)0.050*
H2A0.34280.65740.06420.054*
H2B0.31770.53970.13850.054*
H3w10.13600.54120.38030.084*
H3w20.01940.51960.33300.084*
H4w10.104 (3)0.4078 (18)0.4983 (14)0.083*
H4w20.058 (3)0.384 (2)0.5701 (19)0.083*
H40.25790.80060.05460.058*
H5w10.493 (3)0.364 (2)0.852 (2)0.096*
H5w20.513 (3)0.436 (3)0.8014 (15)0.096*
H50.29990.99730.02020.056*
H6w10.410 (3)1.449 (2)0.0396 (10)0.102*
H6w20.290 (2)1.423 (3)0.039 (2)0.102*
H70.40730.98750.23720.051*
H80.35870.79030.27500.051*
H90.133 (4)0.2110 (11)0.560 (2)0.082*
H100.25970.27370.10790.047*
H110.32200.07510.16070.046*
H120.356 (4)1.2597 (12)0.036 (2)0.092*
H130.08020.11250.04620.053*
H140.13010.30910.00590.055*
H160.35830.10420.14750.053*
H170.41110.30060.20780.062*
H180.04750.26140.21300.062*
H190.01760.06350.15310.051*
H21A0.19240.50870.64300.052*
H21B0.13860.38510.56750.052*
H230.21550.23740.56110.052*
H240.17900.04280.53400.051*
H260.07270.06340.75290.051*
H270.11650.25980.78360.052*
H290.75100.73280.58350.038*
H300.80000.92970.62590.038*
H320.40100.87640.58350.040*
H330.36450.68190.54520.043*
H350.82271.10290.62810.056*
H360.85221.29560.65680.066*
H370.48791.25020.66110.055*
H380.44651.05600.63310.046*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.0370 (3)0.0290 (2)0.0318 (2)0.00470 (17)0.01081 (18)0.01228 (17)
Co20.0316 (2)0.02194 (18)0.0364 (2)0.01110 (15)0.01659 (17)0.01188 (16)
O1w0.0450 (10)0.0541 (9)0.0367 (8)0.0074 (8)0.0084 (8)0.0195 (8)
O2w0.0419 (9)0.0233 (6)0.0372 (8)0.0121 (6)0.0164 (7)0.0119 (6)
O3w0.0498 (11)0.0785 (12)0.0542 (10)0.0302 (10)0.0293 (9)0.0278 (10)
O4w0.0593 (13)0.0452 (9)0.0652 (12)0.0185 (9)0.0298 (10)0.0164 (9)
O5w0.0728 (15)0.0602 (11)0.0521 (11)0.0161 (10)0.0155 (10)0.0258 (10)
O6w0.0698 (16)0.0524 (11)0.0727 (14)0.0170 (10)0.0217 (11)0.0189 (10)
O10.0492 (11)0.0477 (9)0.0462 (9)0.0160 (8)0.0210 (8)0.0263 (8)
O20.0501 (11)0.0596 (10)0.0470 (9)0.0250 (9)0.0209 (8)0.0288 (8)
O30.0700 (13)0.0378 (8)0.0516 (9)0.0154 (8)0.0363 (9)0.0185 (8)
O40.0586 (13)0.0505 (10)0.0861 (14)0.0147 (9)0.0349 (11)0.0351 (10)
O50.0753 (14)0.0424 (9)0.0705 (12)0.0174 (10)0.0379 (11)0.0168 (10)
O60.0436 (11)0.0796 (12)0.0557 (10)0.0205 (9)0.0198 (9)0.0392 (10)
O70.0438 (10)0.0405 (8)0.0460 (8)0.0194 (7)0.0268 (8)0.0223 (7)
O80.0650 (12)0.0415 (8)0.0541 (9)0.0185 (8)0.0409 (9)0.0215 (8)
O90.0522 (12)0.0494 (10)0.0868 (13)0.0134 (9)0.0411 (11)0.0302 (10)
O100.0544 (12)0.0479 (10)0.0693 (12)0.0179 (9)0.0334 (10)0.0198 (10)
N10.0393 (11)0.0323 (9)0.0389 (9)0.0070 (8)0.0134 (8)0.0138 (8)
N20.0610 (15)0.0371 (10)0.0569 (13)0.0163 (10)0.0173 (11)0.0079 (10)
N30.0339 (10)0.0244 (8)0.0377 (9)0.0127 (7)0.0162 (8)0.0113 (7)
N40.0590 (15)0.0290 (9)0.0610 (13)0.0184 (10)0.0178 (11)0.0112 (9)
C10.0471 (14)0.0251 (9)0.0366 (11)0.0138 (9)0.0185 (10)0.0103 (9)
C20.0503 (15)0.0400 (12)0.0515 (13)0.0156 (11)0.0251 (12)0.0222 (11)
C30.0388 (13)0.0390 (11)0.0405 (11)0.0118 (10)0.0192 (10)0.0170 (10)
C40.0640 (18)0.0463 (13)0.0442 (12)0.0137 (12)0.0316 (13)0.0212 (11)
C50.0529 (16)0.0432 (12)0.0414 (12)0.0096 (11)0.0234 (12)0.0114 (11)
C60.0313 (12)0.0428 (12)0.0437 (12)0.0081 (10)0.0118 (10)0.0189 (10)
C70.0421 (14)0.0510 (13)0.0444 (12)0.0147 (11)0.0210 (11)0.0286 (11)
C80.0432 (14)0.0491 (13)0.0399 (12)0.0149 (11)0.0215 (11)0.0193 (11)
C90.0347 (13)0.0422 (12)0.0495 (13)0.0095 (10)0.0110 (11)0.0183 (11)
C100.0360 (13)0.0336 (10)0.0455 (12)0.0108 (9)0.0122 (10)0.0146 (10)
C110.0324 (12)0.0331 (10)0.0416 (11)0.0064 (9)0.0095 (10)0.0110 (9)
C120.0403 (13)0.0325 (10)0.0292 (10)0.0092 (9)0.0135 (9)0.0102 (9)
C130.0380 (14)0.0386 (11)0.0512 (13)0.0131 (10)0.0135 (11)0.0129 (11)
C140.0355 (14)0.0362 (11)0.0523 (14)0.0033 (10)0.0103 (11)0.0094 (11)
C150.0417 (13)0.0333 (10)0.0301 (10)0.0114 (9)0.0131 (9)0.0120 (9)
C160.0441 (15)0.0366 (11)0.0469 (13)0.0104 (10)0.0195 (11)0.0079 (10)
C170.0491 (16)0.0360 (12)0.0566 (15)0.0047 (11)0.0166 (13)0.0077 (11)
C180.0581 (18)0.0458 (13)0.0535 (14)0.0262 (12)0.0219 (13)0.0151 (12)
C190.0449 (14)0.0405 (11)0.0473 (13)0.0167 (10)0.0205 (11)0.0172 (11)
C200.0398 (13)0.0260 (9)0.0415 (11)0.0119 (9)0.0211 (10)0.0143 (9)
C210.0492 (15)0.0440 (12)0.0540 (13)0.0219 (11)0.0304 (12)0.0249 (11)
C220.0327 (12)0.0454 (12)0.0385 (11)0.0109 (10)0.0170 (10)0.0170 (10)
C230.0461 (15)0.0452 (12)0.0438 (12)0.0100 (11)0.0255 (11)0.0187 (11)
C240.0411 (14)0.0440 (12)0.0405 (11)0.0092 (10)0.0201 (11)0.0127 (10)
C250.0264 (11)0.0458 (12)0.0415 (12)0.0085 (9)0.0109 (9)0.0180 (10)
C260.0394 (13)0.0527 (13)0.0419 (12)0.0137 (11)0.0201 (10)0.0244 (11)
C270.0441 (14)0.0505 (13)0.0409 (12)0.0134 (11)0.0244 (11)0.0174 (11)
C280.0295 (12)0.0488 (13)0.0496 (13)0.0093 (10)0.0138 (11)0.0191 (11)
C290.0331 (12)0.0283 (9)0.0386 (11)0.0154 (8)0.0164 (9)0.0123 (9)
C300.0302 (11)0.0266 (9)0.0383 (10)0.0102 (8)0.0142 (9)0.0112 (9)
C310.0329 (11)0.0253 (9)0.0284 (9)0.0123 (8)0.0128 (8)0.0095 (8)
C320.0302 (11)0.0302 (10)0.0445 (11)0.0146 (8)0.0173 (10)0.0116 (9)
C330.0316 (12)0.0282 (10)0.0488 (12)0.0104 (9)0.0191 (10)0.0116 (9)
C340.0376 (12)0.0232 (9)0.0304 (10)0.0126 (8)0.0126 (9)0.0083 (8)
C350.0391 (14)0.0313 (11)0.0712 (16)0.0148 (10)0.0229 (13)0.0177 (11)
C360.0448 (15)0.0285 (11)0.0842 (19)0.0098 (10)0.0202 (14)0.0165 (12)
C370.0563 (16)0.0341 (11)0.0536 (14)0.0258 (11)0.0251 (12)0.0125 (11)
C380.0476 (14)0.0317 (10)0.0466 (12)0.0206 (10)0.0256 (11)0.0150 (10)
Geometric parameters (Å, º) top
Co1—O1w2.0869 (18)C5—H50.9300
Co1—O12.0934 (17)C6—C71.391 (3)
Co1—N12.1739 (18)C6—C91.480 (3)
Co2—O72.0383 (15)C7—C81.375 (3)
Co2—N32.1698 (17)C7—H70.9300
Co2—O2w2.1718 (17)C8—H80.9300
Co1—O1wi2.0869 (18)C10—C111.386 (3)
Co1—O1i2.0934 (17)C10—H100.9300
Co1—N1i2.1739 (18)C11—C121.382 (3)
Co2—O7ii2.0383 (15)C11—H110.9300
Co2—N3ii2.1698 (17)C12—C131.384 (3)
Co2—O2wii2.1718 (17)C12—C151.491 (3)
O1w—H1w10.84 (2)C13—C141.379 (3)
O1w—H1w20.851 (10)C13—H130.9300
O2w—H2w10.845 (9)C14—H140.9300
O2w—H2w20.851 (19)C15—C191.383 (3)
O3w—H3w10.8500C15—C161.392 (3)
O3w—H3w20.8500C16—C171.378 (3)
O4w—H4w10.868 (10)C16—H160.9300
O4w—H4w20.88 (3)C17—H170.9300
O5w—H5w10.86 (3)C18—C191.381 (3)
O5w—H5w20.86 (3)C18—H180.9300
O6w—H6w10.846 (10)C19—H190.9300
O6w—H6w20.84 (3)C20—C211.512 (3)
O1—C11.273 (2)C21—H21A0.9700
O2—C11.233 (3)C21—H21B0.9700
O3—C31.363 (3)C22—C231.380 (3)
O3—C21.430 (3)C22—C271.389 (3)
O4—C91.214 (3)C23—C241.375 (3)
O5—C91.312 (3)C23—H230.9300
O5—H120.857 (10)C24—C251.388 (3)
O6—C201.222 (3)C24—H240.9300
O7—C201.268 (2)C25—C261.393 (3)
O8—C221.363 (3)C25—C281.484 (3)
O8—C211.435 (3)C26—C271.377 (3)
O9—C281.208 (3)C26—H260.9300
O10—C281.316 (3)C27—H270.9300
O10—H90.853 (10)C29—C301.383 (3)
N1—C101.333 (3)C29—H290.9300
N1—C141.335 (3)C30—C311.395 (3)
N2—C181.328 (3)C30—H300.9300
N2—C171.337 (3)C31—C321.386 (3)
N3—C291.336 (3)C31—C341.490 (2)
N3—C331.343 (3)C32—C331.379 (3)
N4—C361.330 (3)C32—H320.9300
N4—C371.332 (3)C33—H330.9300
C1—C21.518 (3)C34—C381.382 (3)
C2—H2A0.9700C34—C351.394 (3)
C2—H2B0.9700C35—C361.382 (3)
C3—C41.381 (3)C35—H350.9300
C3—C81.385 (3)C36—H360.9300
C4—C51.382 (3)C37—C381.384 (3)
C4—H40.9300C37—H370.9300
C5—C61.383 (3)C38—H380.9300
O1w—Co1—O1wi180.0C7—C6—C9119.44 (19)
O1w—Co1—O191.61 (7)C7—C8—C3119.9 (2)
O1w—Co1—O1i88.39 (7)C7—C8—H8120.1
O1w—Co1—N191.27 (8)C8—C7—C6121.08 (19)
O1w—Co1—N1i88.73 (8)C8—C7—H7119.5
O1—Co1—O1i180.0C9—O5—H12112 (2)
O1—Co1—N1i89.34 (7)C10—C11—H11120.1
O1—Co1—N190.66 (7)C10—N1—C14116.53 (19)
N1i—Co1—N1180.0C10—N1—Co1122.80 (15)
O2wii—Co2—O2w180.0C11—C10—H10118.3
O7—Co2—O2w96.64 (6)C11—C12—C13116.9 (2)
O7—Co2—O2wii83.36 (6)C11—C12—C15121.8 (2)
O7ii—Co2—O7180.0C12—C11—C10119.8 (2)
O7—Co2—N389.48 (7)C12—C11—H11120.1
O7—Co2—N3ii90.52 (7)C12—C13—H13120.2
N3—Co2—O2w91.14 (7)C13—C12—C15121.3 (2)
N3—Co2—O2wii88.86 (7)C13—C14—H14118.1
N3—Co2—N3ii180.0C14—C13—C12119.6 (2)
Co1—O1w—H1w1113.9 (18)C14—C13—H13120.2
Co1—O1w—H1w2134.5 (17)C14—N1—Co1120.63 (15)
Co2—O2w—H2w1115.1 (17)C15—C16—H16120.3
Co2—O2w—H2w2108.5 (17)C15—C19—H19120.3
O1wi—Co1—N188.73 (8)C16—C15—C12121.3 (2)
O1wi—Co1—N1i91.27 (8)C16—C17—H17118.1
O1wi—Co1—O188.39 (7)C17—C16—C15119.3 (2)
O1wi—Co1—O1i91.61 (7)C17—C16—H16120.3
O7ii—Co2—N3ii89.48 (7)C18—C19—C15119.5 (2)
O7ii—Co2—N390.52 (7)C18—C19—H19120.3
O7ii—Co2—O2w83.36 (6)C18—N2—C17116.5 (2)
O7ii—Co2—O2wii96.64 (6)C19—C15—C12121.7 (2)
O1—C1—C2112.4 (2)C19—C15—C16117.0 (2)
O1i—Co1—N189.34 (7)C19—C18—H18118.0
O1i—Co1—N1i90.66 (7)C20—C21—H21A108.6
O2—C1—C2121.18 (19)C20—C21—H21B108.6
O2—C1—O1126.5 (2)C20—O7—Co2132.88 (15)
O3—C2—C1114.5 (2)C22—C23—H23120.2
O3—C2—H2A108.6C22—C27—H27120.3
O3—C2—H2B108.6C22—O8—C21116.93 (17)
O3—C3—C4125.05 (19)C23—C22—C27120.3 (2)
O3—C3—C8115.14 (19)C23—C24—C25121.1 (2)
O4—C9—C6122.3 (2)C23—C24—H24119.4
O4—C9—O5123.6 (2)C24—C23—C22119.7 (2)
O5—C9—C6114.1 (2)C24—C23—H23120.2
O6—C20—C21121.59 (19)C24—C25—C26118.5 (2)
O6—C20—O7126.6 (2)C24—C25—C28121.2 (2)
O7—C20—C21111.8 (2)C25—C24—H24119.4
O8—C21—C20114.9 (2)C25—C26—H26119.6
O8—C21—H21A108.6C26—C25—C28120.34 (19)
O8—C21—H21B108.6C26—C27—C22119.5 (2)
O8—C22—C23124.18 (18)C26—C27—H27120.3
O8—C22—C27115.5 (2)C27—C26—C25120.90 (19)
O9—C28—C25123.0 (2)C27—C26—H26119.6
O9—C28—O10123.9 (2)C28—O10—H9109 (2)
O10—C28—C25113.14 (19)C29—C30—C31119.90 (19)
N1—C10—C11123.3 (2)C29—C30—H30120.0
N1—C10—H10118.3C29—N3—C33116.58 (17)
N1—C14—C13123.8 (2)C29—N3—Co2122.90 (13)
N1—C14—H14118.1C30—C29—H29118.3
N2—C17—C16123.7 (2)C30—C31—C34122.17 (18)
N2—C17—H17118.1C31—C30—H30120.0
N2—C18—C19123.9 (2)C31—C32—H32120.0
N2—C18—H18118.0C32—C31—C30116.52 (17)
N3—C29—C30123.37 (19)C32—C31—C34121.30 (18)
N3—C29—H29118.3C32—C33—H33118.2
N3—C33—C32123.6 (2)C33—C32—C31119.96 (19)
N3—C33—H33118.2C33—C32—H32120.0
N3ii—Co2—O2w88.86 (7)C33—N3—Co2120.17 (14)
N3ii—Co2—O2wii91.14 (7)C34—C35—H35120.3
N4—C36—C35124.5 (2)C34—C38—C37120.4 (2)
N4—C36—H36117.8C34—C38—H38119.8
N4—C37—C38123.6 (2)C35—C34—C31121.67 (19)
N4—C37—H37118.2C35—C36—H36117.8
C1—C2—H2A108.6C36—C35—C34119.4 (2)
C1—C2—H2B108.6C36—C35—H35120.3
C1—O1—Co1127.28 (15)C36—N4—C37115.99 (19)
C3—C4—C5119.7 (2)C37—C38—H38119.8
C3—C4—H4120.1C38—C34—C31122.22 (19)
C3—C8—H8120.1C38—C34—C35116.09 (18)
C3—O3—C2118.65 (17)C38—C37—H37118.2
C4—C3—C8119.8 (2)H1w1—O1w—H1w2110.0 (16)
C4—C5—C6121.2 (2)H2w1—O2w—H2w2107.9 (14)
C4—C5—H5119.4H2A—C2—H2B107.6
C5—C4—H4120.1H3w1—O3w—H3w2107.7
C5—C6—C7118.3 (2)H4w1—O4w—H4w2106 (3)
C5—C6—C9122.3 (2)H5w1—O5w—H5w2107.3 (16)
C6—C5—H5119.4H6w1—O6w—H6w2111.3 (17)
C6—C7—H7119.5H21A—C21—H21B107.5
O1w—Co1—O1—C131.00 (18)C11—C12—C15—C19151.8 (2)
O1wi—Co1—O1—C1149.00 (18)C13—C12—C15—C1927.3 (3)
N1i—Co1—O1—C157.70 (18)C11—C12—C15—C1627.0 (3)
N1—Co1—O1—C1122.30 (18)C13—C12—C15—C16153.9 (2)
N3—Co2—O7—C2099.70 (19)C19—C15—C16—C171.8 (3)
N3ii—Co2—O7—C2080.30 (19)C12—C15—C16—C17177.1 (2)
O2wii—Co2—O7—C20171.38 (18)C18—N2—C17—C161.9 (4)
O2w—Co2—O7—C208.62 (18)C15—C16—C17—N20.0 (4)
O1w—Co1—N1—C1032.98 (17)C17—N2—C18—C191.9 (4)
O1wi—Co1—N1—C10147.02 (17)N2—C18—C19—C150.1 (4)
O1—Co1—N1—C10124.60 (17)C16—C15—C19—C181.7 (3)
O1i—Co1—N1—C1055.40 (17)C12—C15—C19—C18177.1 (2)
O1w—Co1—N1—C14144.77 (18)Co2—O7—C20—O66.0 (3)
O1wi—Co1—N1—C1435.23 (18)Co2—O7—C20—C21174.08 (14)
O1—Co1—N1—C1453.15 (18)C22—O8—C21—C2075.4 (3)
O1i—Co1—N1—C14126.85 (18)O6—C20—C21—O814.7 (3)
O7ii—Co2—N3—C2928.45 (16)O7—C20—C21—O8165.39 (17)
O7—Co2—N3—C29151.55 (16)C21—O8—C22—C239.9 (3)
O2wii—Co2—N3—C29125.08 (16)C21—O8—C22—C27169.9 (2)
O2w—Co2—N3—C2954.92 (16)O8—C22—C23—C24179.7 (2)
O7ii—Co2—N3—C33144.50 (16)C27—C22—C23—C240.1 (4)
O7—Co2—N3—C3335.50 (16)C22—C23—C24—C251.0 (4)
O2wii—Co2—N3—C3347.87 (15)C23—C24—C25—C260.8 (4)
O2w—Co2—N3—C33132.13 (15)C23—C24—C25—C28177.9 (2)
Co1—O1—C1—O230.3 (3)C24—C25—C26—C270.4 (4)
Co1—O1—C1—C2150.31 (15)C28—C25—C26—C27179.1 (2)
C3—O3—C2—C188.3 (3)C25—C26—C27—C221.4 (4)
O2—C1—C2—O34.1 (3)O8—C22—C27—C26178.6 (2)
O1—C1—C2—O3176.50 (18)C23—C22—C27—C261.2 (4)
C2—O3—C3—C416.1 (4)C24—C25—C28—O9160.5 (2)
C2—O3—C3—C8163.6 (2)C26—C25—C28—O918.1 (4)
O3—C3—C4—C5178.2 (2)C24—C25—C28—O1019.1 (3)
C8—C3—C4—C51.5 (4)C26—C25—C28—O10162.3 (2)
C3—C4—C5—C60.7 (4)C33—N3—C29—C301.9 (3)
C4—C5—C6—C71.7 (4)Co2—N3—C29—C30171.29 (14)
C4—C5—C6—C9178.2 (2)N3—C29—C30—C310.9 (3)
C5—C6—C7—C80.6 (4)C29—C30—C31—C323.1 (3)
C9—C6—C7—C8179.4 (2)C29—C30—C31—C34175.99 (17)
C6—C7—C8—C31.6 (4)C30—C31—C32—C332.4 (3)
O3—C3—C8—C7177.1 (2)C34—C31—C32—C33176.65 (18)
C4—C3—C8—C72.6 (4)C29—N3—C33—C322.6 (3)
C5—C6—C9—O4165.0 (2)Co2—N3—C33—C32170.77 (16)
C7—C6—C9—O414.9 (4)C31—C32—C33—N30.4 (3)
C5—C6—C9—O515.6 (3)C32—C31—C34—C389.5 (3)
C7—C6—C9—O5164.4 (2)C30—C31—C34—C38171.4 (2)
C14—N1—C10—C110.0 (3)C32—C31—C34—C35168.9 (2)
Co1—N1—C10—C11177.80 (16)C30—C31—C34—C3510.1 (3)
N1—C10—C11—C120.6 (3)C38—C34—C35—C360.1 (3)
C10—C11—C12—C130.3 (3)C31—C34—C35—C36178.4 (2)
C10—C11—C12—C15178.78 (18)C37—N4—C36—C351.7 (4)
C11—C12—C13—C140.4 (3)C34—C35—C36—N40.9 (4)
C15—C12—C13—C14179.5 (2)C36—N4—C37—C381.6 (4)
C10—N1—C14—C130.8 (3)C35—C34—C38—C370.2 (3)
Co1—N1—C14—C13177.04 (17)C31—C34—C38—C37178.3 (2)
C12—C13—C14—N11.0 (4)N4—C37—C38—C340.7 (4)
Symmetry codes: (i) x, y+1, z; (ii) x+1, y+1, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1w—H1w1···O20.84 (2)2.06 (2)2.765 (3)141 (2)
O1w—H1w2···O5wiii0.85 (1)2.01 (1)2.835 (3)165 (2)
O2w—H2w1···N4iv0.85 (1)2.05 (1)2.884 (2)167 (2)
O2w—H2w2···N2v0.85 (2)1.98 (1)2.801 (3)161 (2)
O3w—H3w1···O2wiii0.852.052.867 (2)160
O3w—H3w2···O20.852.092.843 (2)147
O4w—H4w1···O3wvi0.87 (1)1.96 (1)2.828 (3)176 (3)
O4w—H4w2···O3wvii0.88 (3)1.94 (3)2.808 (3)173 (3)
O5w—H5w1···O4vii0.86 (3)2.14 (2)2.869 (3)143 (3)
O5w—H5w2···O60.86 (3)1.79 (3)2.638 (3)168 (4)
O6w—H6w1···O5wviii0.85 (1)1.97 (2)2.734 (3)150 (3)
O6w—H6w2···O1ix0.84 (3)2.17 (3)2.995 (3)165 (3)
O5—H12···O6w0.86 (1)1.77 (1)2.614 (3)170 (4)
O10—H9···O4w0.85 (1)1.71 (1)2.561 (2)174 (3)
Symmetry codes: (iii) x1, y, z1; (iv) x, y1, z; (v) x+1, y+1, z+1; (vi) x, y, z; (vii) x, y1, z+1; (viii) x+1, y+2, z+1; (ix) x, y+1, z.
 

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