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The title complex, {[Co(4,4′-bipy)(H
2O)
4](CCA)·2H
2O}
n (where bipy is bipyridine, C
10H
8N
2, and CCA
2− is 2-carboxylatocinnamate, C
10H
6O
4), is a linear polymer constructed from cobalt and 4,4′-bipy, and which contains uncoordinated CCA
2− counter-ions. There are two independent formula units in the asymmetric unit. O—H
O hydrogen bonds connect the structure into a three-dimensional network.
Supporting information
CCDC reference: 255443
Key indicators
- Single-crystal X-ray study
- T = 173 K
- Mean (C-C) = 0.003 Å
- R factor = 0.022
- wR factor = 0.045
- Data-to-parameter ratio = 9.9
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 24
Alert level G
FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the
_chemical_formula_sum and _chemical_formula_moiety. This is
usually due to the moiety formula being in the wrong format.
Atom count from _chemical_formula_sum: C20 H26 Co1 N2 O10
Atom count from _chemical_formula_moiety:C20 H24 Co1 N2 O8
REFLT03_ALERT_4_G WARNING: Large fraction of Friedel related reflns may
be needed to determine absolute structure
From the CIF: _diffrn_reflns_theta_max 27.48
From the CIF: _reflns_number_total 6621
Count of symmetry unique reflns 5178
Completeness (_total/calc) 127.87%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 1443
Fraction of Friedel pairs measured 0.279
Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
2 ALERT level C = Check and explain
2 ALERT level G = General alerts; check
2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
0 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
2 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: CrystalClear (Rigaku, 2000); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXTL (Siemens, 1994); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL and PLATON (Spek, 2004); software used to prepare material for publication: SHELXTL.
catena-poly[[[tetraaquacobalt(II)]-µ-4,4-bipyridine-
κ2N:
N'] 2-carboxylatocinnamate dihydrate]
top
Crystal data top
[Co(C10H8N2)(H2O)4](C10H6O4)·2H2O | Z = 2 |
Mr = 513.36 | F(000) = 534 |
Triclinic, P1 | Dx = 1.512 Mg m−3 |
Hall symbol: P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 7.3854 (15) Å | Cell parameters from 3522 reflections |
b = 11.432 (2) Å | θ = 3.1–27.5° |
c = 13.625 (3) Å | µ = 0.82 mm−1 |
α = 92.88 (3)° | T = 173 K |
β = 98.04 (3)° | Prism, yellow |
γ = 97.18 (3)° | 0.60 × 0.35 × 0.20 mm |
V = 1127.4 (4) Å3 | |
Data collection top
Rigaku Mercury70 (2 × 2 bin mode) diffractometer | 6621 independent reflections |
Radiation source: fine-focus sealed tube | 6236 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.015 |
Detector resolution: 14.6306 pixels mm-1 | θmax = 27.5°, θmin = 3.1° |
dtprofit.ref scans | h = −8→9 |
Absorption correction: multi-scan (CrystalClear; Rigaku, 2000) | k = −14→13 |
Tmin = 0.729, Tmax = 0.850 | l = −17→17 |
8640 measured reflections | |
Refinement top
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.022 | H-atom parameters constrained |
wR(F2) = 0.046 | w = 1/[σ2(Fo2) + (0.1P)2] where P = (Fo2 + 2Fc2)/3 |
S = 0.93 | (Δ/σ)max = 0.006 |
6621 reflections | Δρmax = 0.28 e Å−3 |
667 parameters | Δρmin = −0.29 e Å−3 |
39 restraints | Absolute structure: Flack (1983), 1443 Friedel pairs |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: 0.008 (6) |
Special details top
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) top | x | y | z | Uiso*/Ueq | |
Co1 | 0.11535 (3) | 1.97581 (2) | 0.39631 (2) | 0.00951 (7) | |
Co2 | 0.09944 (3) | 2.24624 (2) | 0.89686 (2) | 0.00935 (7) | |
O1A | 0.3979 (2) | 1.99361 (17) | 0.42345 (15) | 0.0188 (4) | |
H1A1 | 0.459 (3) | 1.9413 (17) | 0.445 (2) | 0.028* | |
H1A2 | 0.467 (3) | 2.0608 (15) | 0.438 (2) | 0.028* | |
O2A | 0.1090 (2) | 1.96065 (17) | 0.24105 (13) | 0.0139 (4) | |
H2A2 | 0.209 (2) | 1.973 (2) | 0.2177 (18) | 0.021* | |
H2A1 | 0.030 (3) | 1.999 (2) | 0.2136 (17) | 0.021* | |
O3A | 0.1066 (3) | 1.98048 (17) | 0.55075 (13) | 0.0162 (4) | |
H3A2 | 0.182 (3) | 2.013 (2) | 0.5971 (16) | 0.024* | |
H3A1 | 0.004 (2) | 1.961 (2) | 0.5674 (19) | 0.024* | |
O4A | −0.1666 (2) | 1.96495 (17) | 0.37080 (14) | 0.0154 (4) | |
H4A2 | −0.219 (3) | 2.0241 (16) | 0.3568 (18) | 0.023* | |
H4A1 | −0.234 (3) | 1.9186 (18) | 0.4003 (17) | 0.023* | |
O1B | 0.0986 (2) | 2.26484 (17) | 1.04917 (13) | 0.0140 (4) | |
H1B1 | 0.046 (3) | 2.3251 (15) | 1.0573 (18) | 0.021* | |
H1B2 | 0.026 (3) | 2.2099 (16) | 1.0708 (18) | 0.021* | |
O2B | 0.0897 (2) | 2.23879 (16) | 0.73797 (13) | 0.0136 (4) | |
H2B2 | −0.010 (2) | 2.211 (2) | 0.7058 (18) | 0.020* | |
H2B1 | 0.175 (2) | 2.209 (2) | 0.7116 (17) | 0.020* | |
O3B | −0.1833 (2) | 2.24510 (16) | 0.86961 (13) | 0.0144 (4) | |
H3B2 | −0.260 (3) | 2.1832 (16) | 0.8665 (19) | 0.022* | |
H3B1 | −0.217 (3) | 2.2946 (17) | 0.9091 (17) | 0.022* | |
O4B | 0.3796 (2) | 2.25124 (17) | 0.91289 (15) | 0.0179 (4) | |
H4B2 | 0.432 (3) | 2.1903 (16) | 0.9105 (19) | 0.027* | |
H4B1 | 0.462 (3) | 2.3048 (17) | 0.9426 (19) | 0.027* | |
O1C | −0.3130 (2) | 2.40289 (15) | 0.98348 (12) | 0.0213 (4) | |
O2C | −0.0581 (2) | 2.44512 (14) | 1.09613 (11) | 0.0194 (4) | |
O3C | −0.3963 (2) | 2.20937 (14) | 1.44306 (11) | 0.0160 (4) | |
O4C | −0.3052 (2) | 2.16013 (14) | 1.29901 (11) | 0.0151 (3) | |
O1D | 0.6124 (2) | 1.81865 (14) | 0.47060 (11) | 0.0150 (3) | |
O2D | 0.7775 (2) | 1.90433 (14) | 0.61213 (11) | 0.0167 (4) | |
O3D | 0.5341 (2) | 2.05666 (14) | 0.86043 (11) | 0.0155 (3) | |
O4D | 0.6028 (2) | 1.97562 (15) | 1.00469 (11) | 0.0193 (4) | |
O1W | 0.4297 (2) | 2.01084 (19) | 0.17400 (13) | 0.0306 (5) | |
H1W1 | 0.508 (3) | 2.063 (2) | 0.2062 (18) | 0.046* | |
H1W2 | 0.466 (4) | 2.002 (3) | 0.1179 (15) | 0.046* | |
O2W | 0.3736 (2) | 2.11403 (17) | 0.68274 (12) | 0.0190 (4) | |
H2W2 | 0.465 (3) | 2.138 (2) | 0.6559 (17) | 0.029* | |
H2W1 | 0.420 (3) | 2.085 (2) | 0.7363 (14) | 0.029* | |
O3W | −0.1237 (2) | 2.10145 (15) | 1.13868 (12) | 0.0174 (4) | |
H3W2 | −0.209 (3) | 2.061 (2) | 1.0978 (16) | 0.026* | |
H3W1 | −0.176 (3) | 2.131 (2) | 1.1820 (16) | 0.026* | |
O4W | −0.2517 (2) | 2.14410 (16) | 0.62451 (12) | 0.0187 (4) | |
H4W2 | −0.264 (4) | 2.0695 (14) | 0.6134 (19) | 0.028* | |
H4W1 | −0.274 (4) | 2.173 (2) | 0.5717 (14) | 0.028* | |
N1A | 0.1339 (3) | 2.16772 (19) | 0.39597 (15) | 0.0107 (5) | |
N2A | 0.1049 (3) | 1.78624 (18) | 0.40060 (16) | 0.0111 (5) | |
N1B | 0.0777 (3) | 2.05534 (19) | 0.89784 (15) | 0.0110 (5) | |
N2B | 0.1200 (3) | 2.43592 (18) | 0.89280 (16) | 0.0117 (5) | |
C11A | 0.0857 (3) | 2.2274 (2) | 0.47338 (17) | 0.0157 (5) | |
H11A | 0.0525 | 2.1848 | 0.5277 | 0.019* | |
C12A | 0.0820 (3) | 2.3488 (2) | 0.47793 (17) | 0.0155 (5) | |
H12A | 0.0500 | 2.3875 | 0.5352 | 0.019* | |
C13A | 0.1247 (3) | 2.4128 (2) | 0.39962 (19) | 0.0123 (6) | |
C14A | 0.1745 (3) | 2.3513 (2) | 0.31810 (17) | 0.0136 (5) | |
H14A | 0.2044 | 2.3917 | 0.2620 | 0.016* | |
C15A | 0.1792 (3) | 2.2308 (2) | 0.32067 (17) | 0.0130 (5) | |
H15A | 0.2167 | 2.1904 | 0.2658 | 0.016* | |
C21A | 0.0608 (3) | 1.7161 (2) | 0.31642 (17) | 0.0136 (5) | |
H21A | 0.0229 | 1.7509 | 0.2564 | 0.016* | |
C22A | 0.0676 (3) | 1.5960 (2) | 0.31283 (17) | 0.0137 (5) | |
H22A | 0.0392 | 1.5505 | 0.2510 | 0.016* | |
C23A | 0.1163 (3) | 1.5417 (2) | 0.39990 (19) | 0.0109 (6) | |
C24A | 0.1601 (3) | 1.6143 (2) | 0.48773 (17) | 0.0153 (5) | |
H24A | 0.1933 | 1.5816 | 0.5494 | 0.018* | |
C25A | 0.1546 (3) | 1.7336 (2) | 0.48393 (18) | 0.0153 (5) | |
H25A | 0.1882 | 1.7819 | 0.5442 | 0.018* | |
C11B | 0.1404 (3) | 2.0035 (2) | 0.97955 (17) | 0.0152 (5) | |
H11B | 0.1838 | 2.0525 | 1.0386 | 0.018* | |
C12B | 0.1461 (3) | 1.8841 (2) | 0.98350 (17) | 0.0158 (5) | |
H12B | 0.1885 | 1.8526 | 1.0444 | 0.019* | |
C13B | 0.0894 (3) | 1.8092 (2) | 0.89750 (18) | 0.0108 (5) | |
C14B | 0.0235 (3) | 1.8627 (2) | 0.81224 (17) | 0.0155 (5) | |
H14B | −0.0170 | 1.8163 | 0.7515 | 0.019* | |
C15B | 0.0172 (3) | 1.9827 (2) | 0.81602 (16) | 0.0151 (5) | |
H15B | −0.0327 | 2.0161 | 0.7574 | 0.018* | |
C21B | 0.0062 (3) | 2.4830 (2) | 0.82435 (18) | 0.0156 (5) | |
H21B | −0.0692 | 2.4310 | 0.7741 | 0.019* | |
C22B | −0.0079 (3) | 2.6016 (2) | 0.82265 (18) | 0.0169 (5) | |
H22B | −0.0904 | 2.6298 | 0.7722 | 0.020* | |
C23B | 0.1011 (3) | 2.6810 (2) | 0.89631 (18) | 0.0102 (6) | |
C24B | 0.2195 (3) | 2.6326 (2) | 0.96650 (17) | 0.0131 (5) | |
H24B | 0.2966 | 2.6823 | 1.0177 | 0.016* | |
C25B | 0.2253 (3) | 2.5124 (2) | 0.96214 (17) | 0.0152 (5) | |
H25B | 0.3084 | 2.4820 | 1.0109 | 0.018* | |
C1C | −0.2195 (3) | 2.4565 (2) | 1.06107 (16) | 0.0131 (5) | |
C2C | −0.3098 (3) | 2.5430 (2) | 1.11956 (16) | 0.0117 (5) | |
C3C | −0.3096 (3) | 2.6581 (2) | 1.09072 (17) | 0.0164 (5) | |
H3C | −0.2620 | 2.6798 | 1.0320 | 0.020* | |
C4C | −0.3790 (3) | 2.7414 (2) | 1.14790 (17) | 0.0185 (5) | |
H4C | −0.3762 | 2.8204 | 1.1290 | 0.022* | |
C5C | −0.4519 (3) | 2.7094 (2) | 1.23195 (18) | 0.0176 (5) | |
H5C | −0.5030 | 2.7658 | 1.2696 | 0.021* | |
C6C | −0.4508 (3) | 2.5954 (2) | 1.26174 (17) | 0.0161 (5) | |
H6C | −0.5006 | 2.5743 | 1.3200 | 0.019* | |
C7C | −0.3765 (3) | 2.5106 (2) | 1.20658 (16) | 0.0122 (5) | |
C8C | −0.3607 (3) | 2.3912 (2) | 1.23984 (17) | 0.0141 (5) | |
H8C | −0.3464 | 2.3322 | 1.1909 | 0.017* | |
C9C | −0.3646 (3) | 2.3578 (2) | 1.33186 (17) | 0.0151 (5) | |
H9C | −0.3754 | 2.4158 | 1.3824 | 0.018* | |
C10C | −0.3529 (3) | 2.2345 (2) | 1.35952 (18) | 0.0129 (5) | |
C1D | 0.6721 (3) | 1.8197 (2) | 0.56137 (16) | 0.0123 (5) | |
C2D | 0.6138 (3) | 1.71074 (19) | 0.61433 (16) | 0.0118 (5) | |
C3D | 0.6242 (3) | 1.6010 (2) | 0.56746 (18) | 0.0180 (5) | |
H3D | 0.6649 | 1.5976 | 0.5044 | 0.022* | |
C4D | 0.5764 (4) | 1.4971 (2) | 0.61094 (19) | 0.0197 (5) | |
H4D | 0.5887 | 1.4232 | 0.5791 | 0.024* | |
C5D | 0.5103 (4) | 1.5014 (2) | 0.70143 (18) | 0.0221 (6) | |
H5D | 0.4731 | 1.4304 | 0.7308 | 0.027* | |
C6D | 0.4990 (3) | 1.6104 (2) | 0.74881 (18) | 0.0183 (5) | |
H6D | 0.4535 | 1.6128 | 0.8106 | 0.022* | |
C7D | 0.5530 (3) | 1.7168 (2) | 0.70757 (16) | 0.0134 (5) | |
C8D | 0.5439 (3) | 1.8319 (2) | 0.76104 (16) | 0.0126 (5) | |
H8D | 0.5263 | 1.8973 | 0.7221 | 0.015* | |
C9D | 0.5583 (3) | 1.8504 (2) | 0.85903 (16) | 0.0144 (5) | |
H9D | 0.5656 | 1.7842 | 0.8981 | 0.017* | |
C10D | 0.5639 (3) | 1.9691 (2) | 0.91175 (18) | 0.0132 (5) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Co1 | 0.01075 (16) | 0.00725 (17) | 0.01079 (15) | 0.00216 (13) | 0.00154 (12) | 0.00082 (12) |
Co2 | 0.01008 (16) | 0.00718 (17) | 0.01093 (16) | 0.00204 (13) | 0.00145 (12) | 0.00005 (12) |
O1A | 0.0102 (9) | 0.0127 (10) | 0.0334 (11) | 0.0025 (8) | 0.0010 (8) | 0.0052 (9) |
O2A | 0.0155 (10) | 0.0143 (10) | 0.0131 (9) | 0.0046 (8) | 0.0030 (7) | 0.0030 (7) |
O3A | 0.0183 (10) | 0.0171 (11) | 0.0121 (9) | −0.0017 (8) | 0.0029 (7) | −0.0011 (8) |
O4A | 0.0114 (9) | 0.0139 (10) | 0.0224 (10) | 0.0041 (8) | 0.0034 (7) | 0.0081 (8) |
O1B | 0.0182 (10) | 0.0111 (10) | 0.0142 (9) | 0.0045 (8) | 0.0055 (7) | 0.0004 (8) |
O2B | 0.0147 (9) | 0.0151 (10) | 0.0114 (9) | 0.0039 (8) | 0.0020 (7) | −0.0012 (8) |
O3B | 0.0111 (9) | 0.0114 (10) | 0.0206 (10) | 0.0013 (7) | 0.0038 (7) | −0.0030 (8) |
O4B | 0.0096 (9) | 0.0112 (10) | 0.0320 (11) | 0.0014 (8) | 0.0026 (8) | −0.0062 (8) |
O1C | 0.0159 (9) | 0.0224 (10) | 0.0237 (9) | 0.0017 (7) | 0.0014 (7) | −0.0117 (8) |
O2C | 0.0186 (8) | 0.0224 (10) | 0.0180 (9) | 0.0108 (7) | 0.0008 (7) | −0.0049 (7) |
O3C | 0.0181 (9) | 0.0160 (9) | 0.0137 (8) | 0.0009 (7) | 0.0021 (6) | 0.0040 (7) |
O4C | 0.0176 (8) | 0.0121 (9) | 0.0165 (8) | 0.0052 (7) | 0.0032 (6) | 0.0015 (7) |
O1D | 0.0191 (8) | 0.0145 (9) | 0.0112 (8) | 0.0025 (7) | 0.0012 (6) | 0.0015 (6) |
O2D | 0.0195 (9) | 0.0139 (9) | 0.0148 (8) | −0.0044 (7) | 0.0024 (6) | −0.0004 (7) |
O3D | 0.0189 (9) | 0.0118 (9) | 0.0163 (8) | 0.0046 (7) | 0.0025 (6) | 0.0005 (7) |
O4D | 0.0242 (9) | 0.0211 (10) | 0.0119 (8) | 0.0018 (7) | 0.0020 (7) | −0.0008 (7) |
O1W | 0.0181 (9) | 0.0534 (14) | 0.0172 (9) | −0.0033 (9) | 0.0043 (7) | −0.0126 (9) |
O2W | 0.0159 (9) | 0.0262 (10) | 0.0152 (9) | 0.0042 (8) | 0.0022 (7) | −0.0004 (8) |
O3W | 0.0168 (8) | 0.0208 (10) | 0.0144 (8) | 0.0019 (7) | 0.0028 (6) | −0.0008 (7) |
O4W | 0.0244 (9) | 0.0176 (9) | 0.0129 (8) | 0.0010 (8) | −0.0001 (7) | 0.0030 (7) |
N1A | 0.0088 (10) | 0.0098 (12) | 0.0135 (11) | 0.0021 (9) | 0.0008 (8) | 0.0009 (9) |
N2A | 0.0103 (10) | 0.0084 (12) | 0.0138 (11) | 0.0026 (9) | −0.0015 (8) | −0.0015 (9) |
N1B | 0.0112 (11) | 0.0089 (12) | 0.0126 (11) | 0.0007 (9) | 0.0025 (8) | −0.0017 (9) |
N2B | 0.0121 (11) | 0.0104 (12) | 0.0132 (11) | 0.0017 (9) | 0.0038 (8) | 0.0011 (9) |
C11A | 0.0201 (13) | 0.0132 (13) | 0.0154 (12) | 0.0042 (10) | 0.0054 (10) | 0.0040 (10) |
C12A | 0.0192 (12) | 0.0124 (12) | 0.0155 (12) | 0.0042 (10) | 0.0041 (9) | −0.0019 (9) |
C13A | 0.0082 (12) | 0.0099 (14) | 0.0163 (13) | −0.0003 (11) | −0.0040 (10) | −0.0037 (11) |
C14A | 0.0163 (12) | 0.0111 (12) | 0.0139 (11) | 0.0020 (10) | 0.0027 (9) | 0.0037 (9) |
C15A | 0.0139 (12) | 0.0113 (12) | 0.0141 (11) | 0.0027 (10) | 0.0024 (9) | −0.0015 (9) |
C21A | 0.0175 (13) | 0.0109 (13) | 0.0107 (11) | 0.0019 (10) | −0.0040 (9) | 0.0002 (9) |
C22A | 0.0151 (12) | 0.0103 (12) | 0.0142 (12) | 0.0012 (10) | −0.0012 (9) | −0.0018 (9) |
C23A | 0.0102 (13) | 0.0103 (15) | 0.0128 (13) | 0.0038 (11) | 0.0012 (10) | 0.0029 (11) |
C24A | 0.0215 (13) | 0.0108 (12) | 0.0126 (12) | 0.0027 (10) | −0.0021 (10) | 0.0016 (9) |
C25A | 0.0214 (13) | 0.0095 (13) | 0.0142 (12) | 0.0034 (10) | 0.0001 (10) | −0.0026 (10) |
C11B | 0.0225 (13) | 0.0105 (13) | 0.0123 (11) | 0.0054 (10) | 0.0002 (10) | −0.0027 (9) |
C12B | 0.0219 (13) | 0.0135 (12) | 0.0125 (11) | 0.0060 (11) | −0.0005 (9) | 0.0033 (9) |
C13B | 0.0110 (13) | 0.0063 (14) | 0.0158 (13) | 0.0015 (11) | 0.0037 (10) | 0.0024 (11) |
C14B | 0.0205 (13) | 0.0099 (12) | 0.0140 (11) | 0.0006 (10) | −0.0024 (9) | −0.0024 (9) |
C15B | 0.0211 (13) | 0.0089 (12) | 0.0139 (12) | 0.0014 (10) | −0.0026 (9) | 0.0028 (9) |
C21B | 0.0168 (13) | 0.0112 (13) | 0.0158 (12) | −0.0003 (10) | −0.0052 (9) | −0.0017 (10) |
C22B | 0.0192 (13) | 0.0118 (12) | 0.0183 (13) | 0.0042 (10) | −0.0045 (10) | 0.0023 (10) |
C23B | 0.0103 (13) | 0.0088 (15) | 0.0121 (13) | 0.0026 (11) | 0.0028 (10) | −0.0005 (11) |
C24B | 0.0132 (12) | 0.0091 (12) | 0.0150 (12) | −0.0002 (9) | −0.0022 (9) | −0.0019 (9) |
C25B | 0.0157 (12) | 0.0145 (13) | 0.0152 (12) | 0.0046 (10) | −0.0007 (9) | 0.0023 (10) |
C1C | 0.0159 (12) | 0.0106 (12) | 0.0136 (11) | −0.0003 (9) | 0.0059 (9) | 0.0027 (9) |
C2C | 0.0098 (10) | 0.0108 (12) | 0.0139 (11) | 0.0029 (9) | −0.0007 (8) | −0.0019 (9) |
C3C | 0.0198 (12) | 0.0149 (13) | 0.0152 (12) | 0.0021 (10) | 0.0041 (9) | 0.0037 (10) |
C4C | 0.0232 (13) | 0.0119 (13) | 0.0197 (13) | 0.0051 (10) | −0.0015 (10) | 0.0013 (10) |
C5C | 0.0182 (12) | 0.0142 (13) | 0.0202 (13) | 0.0068 (10) | 0.0000 (10) | −0.0052 (10) |
C6C | 0.0149 (11) | 0.0205 (13) | 0.0139 (11) | 0.0048 (10) | 0.0036 (9) | 0.0013 (10) |
C7C | 0.0108 (11) | 0.0117 (12) | 0.0147 (11) | 0.0036 (9) | 0.0017 (9) | 0.0011 (9) |
C8C | 0.0130 (11) | 0.0127 (12) | 0.0174 (11) | 0.0031 (9) | 0.0048 (9) | −0.0008 (9) |
C9C | 0.0170 (12) | 0.0122 (12) | 0.0160 (12) | 0.0032 (10) | 0.0021 (9) | −0.0013 (9) |
C10C | 0.0080 (11) | 0.0133 (13) | 0.0165 (12) | 0.0008 (9) | −0.0012 (9) | 0.0028 (10) |
C1D | 0.0119 (11) | 0.0138 (12) | 0.0138 (11) | 0.0071 (9) | 0.0058 (8) | 0.0031 (9) |
C2D | 0.0121 (11) | 0.0085 (12) | 0.0142 (11) | 0.0015 (9) | −0.0006 (9) | 0.0027 (9) |
C3D | 0.0230 (13) | 0.0165 (13) | 0.0145 (12) | 0.0051 (10) | 0.0019 (9) | −0.0010 (10) |
C4D | 0.0285 (14) | 0.0074 (12) | 0.0230 (13) | 0.0039 (10) | 0.0030 (10) | −0.0007 (10) |
C5D | 0.0292 (14) | 0.0122 (13) | 0.0244 (14) | −0.0010 (11) | 0.0039 (11) | 0.0058 (10) |
C6D | 0.0239 (13) | 0.0147 (13) | 0.0173 (12) | 0.0021 (10) | 0.0065 (10) | 0.0014 (10) |
C7D | 0.0133 (11) | 0.0137 (12) | 0.0137 (11) | 0.0044 (9) | 0.0008 (9) | 0.0021 (9) |
C8D | 0.0138 (11) | 0.0108 (12) | 0.0143 (11) | 0.0025 (9) | 0.0045 (9) | 0.0024 (9) |
C9D | 0.0176 (12) | 0.0102 (12) | 0.0166 (11) | 0.0036 (10) | 0.0043 (9) | 0.0031 (9) |
C10D | 0.0106 (11) | 0.0140 (13) | 0.0160 (12) | 0.0021 (10) | 0.0057 (9) | −0.0002 (10) |
Geometric parameters (Å, º) top
Co1—O4A | 2.0494 (18) | C15A—H15A | 0.9500 |
Co1—O1A | 2.0499 (18) | C21A—C22A | 1.379 (3) |
Co1—O2A | 2.1073 (18) | C21A—H21A | 0.9500 |
Co1—O3A | 2.1125 (18) | C22A—C23A | 1.390 (4) |
Co1—N2A | 2.163 (2) | C22A—H22A | 0.9500 |
Co1—N1A | 2.181 (2) | C23A—C24A | 1.397 (3) |
Co2—O4B | 2.0435 (18) | C23A—C13Aii | 1.483 (3) |
Co2—O3B | 2.0676 (18) | C24A—C25A | 1.373 (3) |
Co2—O1B | 2.0764 (18) | C24A—H24A | 0.9500 |
Co2—O2B | 2.1530 (18) | C25A—H25A | 0.9500 |
Co2—N2B | 2.159 (2) | C11B—C12B | 1.374 (3) |
Co2—N1B | 2.169 (2) | C11B—H11B | 0.9500 |
O1A—H1A1 | 0.834 (16) | C12B—C13B | 1.398 (3) |
O1A—H1A2 | 0.863 (16) | C12B—H12B | 0.9500 |
O2A—H2A2 | 0.840 (16) | C13B—C14B | 1.396 (4) |
O2A—H2A1 | 0.835 (16) | C13B—C23Bii | 1.478 (3) |
O3A—H3A2 | 0.818 (16) | C14B—C15B | 1.377 (3) |
O3A—H3A1 | 0.830 (16) | C14B—H14B | 0.9500 |
O4A—H4A2 | 0.837 (16) | C15B—H15B | 0.9500 |
O4A—H4A1 | 0.836 (16) | C21B—C22B | 1.374 (4) |
O1B—H1B1 | 0.844 (15) | C21B—H21B | 0.9500 |
O1B—H1B2 | 0.864 (16) | C22B—C23B | 1.406 (3) |
O2B—H2B2 | 0.820 (15) | C22B—H22B | 0.9500 |
O2B—H2B1 | 0.867 (15) | C23B—C24B | 1.388 (4) |
O3B—H3B2 | 0.844 (16) | C23B—C13Bi | 1.478 (3) |
O3B—H3B1 | 0.843 (15) | C24B—C25B | 1.378 (3) |
O4B—H4B2 | 0.839 (16) | C24B—H24B | 0.9500 |
O4B—H4B1 | 0.848 (16) | C25B—H25B | 0.9500 |
O1C—C1C | 1.263 (3) | C1C—C2C | 1.514 (3) |
O2C—C1C | 1.246 (3) | C2C—C3C | 1.391 (3) |
O3C—C10C | 1.262 (3) | C2C—C7C | 1.396 (3) |
O4C—C10C | 1.270 (3) | C3C—C4C | 1.391 (3) |
O1D—C1D | 1.253 (3) | C3C—H3C | 0.9500 |
O2D—C1D | 1.271 (3) | C4C—C5C | 1.378 (3) |
O3D—C10D | 1.273 (3) | C4C—H4C | 0.9500 |
O4D—C10D | 1.255 (3) | C5C—C6C | 1.385 (3) |
O1W—H1W1 | 0.838 (17) | C5C—H5C | 0.9500 |
O1W—H1W2 | 0.851 (16) | C6C—C7C | 1.408 (3) |
O2W—H2W2 | 0.835 (16) | C6C—H6C | 0.9500 |
O2W—H2W1 | 0.861 (16) | C7C—C8C | 1.473 (3) |
O3W—H3W2 | 0.848 (16) | C8C—C9C | 1.332 (3) |
O3W—H3W1 | 0.830 (15) | C8C—H8C | 0.9500 |
O4W—H4W2 | 0.850 (15) | C9C—C10C | 1.487 (3) |
O4W—H4W1 | 0.813 (16) | C9C—H9C | 0.9500 |
N1A—C15A | 1.339 (3) | C1D—C2D | 1.516 (3) |
N1A—C11A | 1.341 (3) | C2D—C3D | 1.395 (3) |
N2A—C25A | 1.339 (3) | C2D—C7D | 1.407 (3) |
N2A—C21A | 1.342 (3) | C3D—C4D | 1.383 (4) |
N1B—C11B | 1.340 (3) | C3D—H3D | 0.9500 |
N1B—C15B | 1.344 (3) | C4D—C5D | 1.389 (3) |
N2B—C25B | 1.343 (3) | C4D—H4D | 0.9500 |
N2B—C21B | 1.346 (3) | C5D—C6D | 1.392 (3) |
C11A—C12A | 1.389 (3) | C5D—H5D | 0.9500 |
C11A—H11A | 0.9500 | C6D—C7D | 1.401 (3) |
C12A—C13A | 1.374 (4) | C6D—H6D | 0.9500 |
C12A—H12A | 0.9500 | C7D—C8D | 1.485 (3) |
C13A—C14A | 1.401 (3) | C8D—C9D | 1.329 (3) |
C13A—C23Ai | 1.483 (3) | C8D—H8D | 0.9500 |
C14A—C15A | 1.385 (3) | C9D—C10D | 1.496 (3) |
C14A—H14A | 0.9500 | C9D—H9D | 0.9500 |
| | | |
O4A—Co1—O1A | 177.74 (8) | C25A—C24A—H24A | 120.4 |
O4A—Co1—O2A | 87.69 (8) | C23A—C24A—H24A | 120.4 |
O1A—Co1—O2A | 92.97 (8) | N2A—C25A—C24A | 124.1 (2) |
O4A—Co1—O3A | 89.56 (8) | N2A—C25A—H25A | 118.0 |
O1A—Co1—O3A | 89.89 (8) | C24A—C25A—H25A | 118.0 |
O2A—Co1—O3A | 175.87 (8) | N1B—C11B—C12B | 124.3 (2) |
O4A—Co1—N2A | 92.34 (8) | N1B—C11B—H11B | 117.8 |
O1A—Co1—N2A | 89.82 (8) | C12B—C11B—H11B | 117.8 |
O2A—Co1—N2A | 90.14 (8) | C11B—C12B—C13B | 119.7 (2) |
O3A—Co1—N2A | 86.90 (8) | C11B—C12B—H12B | 120.1 |
O4A—Co1—N1A | 89.22 (8) | C13B—C12B—H12B | 120.1 |
O1A—Co1—N1A | 88.61 (8) | C14B—C13B—C12B | 116.1 (2) |
O2A—Co1—N1A | 91.09 (8) | C14B—C13B—C23Bii | 121.8 (2) |
O3A—Co1—N1A | 91.95 (8) | C12B—C13B—C23Bii | 122.0 (2) |
N2A—Co1—N1A | 178.05 (9) | C15B—C14B—C13B | 120.1 (2) |
O4B—Co2—O3B | 175.58 (9) | C15B—C14B—H14B | 120.0 |
O4B—Co2—O1B | 92.84 (8) | C13B—C14B—H14B | 120.0 |
O3B—Co2—O1B | 91.26 (8) | N1B—C15B—C14B | 123.8 (2) |
O4B—Co2—O2B | 89.58 (8) | N1B—C15B—H15B | 118.1 |
O3B—Co2—O2B | 86.22 (8) | C14B—C15B—H15B | 118.1 |
O1B—Co2—O2B | 175.62 (8) | N2B—C21B—C22B | 124.1 (2) |
O4B—Co2—N2B | 91.93 (8) | N2B—C21B—H21B | 118.0 |
O3B—Co2—N2B | 86.48 (8) | C22B—C21B—H21B | 118.0 |
O1B—Co2—N2B | 89.07 (8) | C21B—C22B—C23B | 119.4 (2) |
O2B—Co2—N2B | 87.21 (8) | C21B—C22B—H22B | 120.3 |
O4B—Co2—N1B | 88.24 (8) | C23B—C22B—H22B | 120.3 |
O3B—Co2—N1B | 93.28 (8) | C24B—C23B—C22B | 116.5 (2) |
O1B—Co2—N1B | 92.01 (8) | C24B—C23B—C13Bi | 122.4 (2) |
O2B—Co2—N1B | 91.70 (8) | C22B—C23B—C13Bi | 121.1 (2) |
N2B—Co2—N1B | 178.90 (9) | C25B—C24B—C23B | 120.1 (2) |
Co1—O1A—H1A1 | 124.9 (18) | C25B—C24B—H24B | 119.9 |
Co1—O1A—H1A2 | 123.5 (17) | C23B—C24B—H24B | 119.9 |
H1A1—O1A—H1A2 | 107 (2) | N2B—C25B—C24B | 123.7 (2) |
Co1—O2A—H2A2 | 119.0 (17) | N2B—C25B—H25B | 118.1 |
Co1—O2A—H2A1 | 110.0 (17) | C24B—C25B—H25B | 118.2 |
H2A2—O2A—H2A1 | 111 (2) | O2C—C1C—O1C | 126.6 (2) |
Co1—O3A—H3A2 | 130.1 (18) | O2C—C1C—C2C | 115.36 (19) |
Co1—O3A—H3A1 | 115.9 (18) | O1C—C1C—C2C | 118.0 (2) |
H3A2—O3A—H3A1 | 112 (2) | C3C—C2C—C7C | 120.5 (2) |
Co1—O4A—H4A2 | 121.5 (18) | C3C—C2C—C1C | 119.2 (2) |
Co1—O4A—H4A1 | 121.6 (17) | C7C—C2C—C1C | 120.0 (2) |
H4A2—O4A—H4A1 | 110 (2) | C4C—C3C—C2C | 120.0 (2) |
Co2—O1B—H1B1 | 104.2 (17) | C4C—C3C—H3C | 120.0 |
Co2—O1B—H1B2 | 113.4 (17) | C2C—C3C—H3C | 120.0 |
H1B1—O1B—H1B2 | 102.4 (19) | C5C—C4C—C3C | 120.1 (2) |
Co2—O2B—H2B2 | 115.3 (18) | C5C—C4C—H4C | 120.0 |
Co2—O2B—H2B1 | 119.3 (17) | C3C—C4C—H4C | 120.0 |
H2B2—O2B—H2B1 | 107.9 (19) | C4C—C5C—C6C | 120.2 (2) |
Co2—O3B—H3B2 | 123.5 (18) | C4C—C5C—H5C | 119.9 |
Co2—O3B—H3B1 | 110.5 (17) | C6C—C5C—H5C | 119.9 |
H3B2—O3B—H3B1 | 107 (2) | C5C—C6C—C7C | 120.7 (2) |
Co2—O4B—H4B2 | 123.0 (18) | C5C—C6C—H6C | 119.7 |
Co2—O4B—H4B1 | 128.2 (16) | C7C—C6C—H6C | 119.7 |
H4B2—O4B—H4B1 | 105 (2) | C2C—C7C—C6C | 118.4 (2) |
H1W1—O1W—H1W2 | 105 (2) | C2C—C7C—C8C | 119.42 (19) |
H2W2—O2W—H2W1 | 104 (2) | C6C—C7C—C8C | 122.1 (2) |
H3W2—O3W—H3W1 | 106 (2) | C9C—C8C—C7C | 126.3 (2) |
H4W2—O4W—H4W1 | 108 (2) | C9C—C8C—H8C | 116.8 |
C15A—N1A—C11A | 116.8 (2) | C7C—C8C—H8C | 116.8 |
C15A—N1A—Co1 | 124.65 (16) | C8C—C9C—C10C | 123.4 (2) |
C11A—N1A—Co1 | 118.45 (17) | C8C—C9C—H9C | 118.3 |
C25A—N2A—C21A | 116.6 (2) | C10C—C9C—H9C | 118.3 |
C25A—N2A—Co1 | 122.82 (16) | O3C—C10C—O4C | 123.5 (2) |
C21A—N2A—Co1 | 120.35 (18) | O3C—C10C—C9C | 116.7 (2) |
C11B—N1B—C15B | 115.9 (2) | O4C—C10C—C9C | 119.8 (2) |
C11B—N1B—Co2 | 120.97 (17) | O1D—C1D—O2D | 125.2 (2) |
C15B—N1B—Co2 | 122.91 (18) | O1D—C1D—C2D | 117.1 (2) |
C25B—N2B—C21B | 116.1 (2) | O2D—C1D—C2D | 117.73 (19) |
C25B—N2B—Co2 | 123.98 (19) | C3D—C2D—C7D | 119.8 (2) |
C21B—N2B—Co2 | 119.39 (17) | C3D—C2D—C1D | 117.4 (2) |
N1A—C11A—C12A | 123.1 (2) | C7D—C2D—C1D | 122.9 (2) |
N1A—C11A—H11A | 118.4 | C4D—C3D—C2D | 121.3 (2) |
C12A—C11A—H11A | 118.4 | C4D—C3D—H3D | 119.3 |
C13A—C12A—C11A | 120.0 (2) | C2D—C3D—H3D | 119.3 |
C13A—C12A—H12A | 120.0 | C3D—C4D—C5D | 119.5 (2) |
C11A—C12A—H12A | 120.0 | C3D—C4D—H4D | 120.2 |
C12A—C13A—C14A | 117.5 (2) | C5D—C4D—H4D | 120.2 |
C12A—C13A—C23Ai | 121.7 (2) | C4D—C5D—C6D | 119.6 (2) |
C14A—C13A—C23Ai | 120.8 (2) | C4D—C5D—H5D | 120.2 |
C15A—C14A—C13A | 118.8 (2) | C6D—C5D—H5D | 120.2 |
C15A—C14A—H14A | 120.6 | C5D—C6D—C7D | 121.6 (2) |
C13A—C14A—H14A | 120.6 | C5D—C6D—H6D | 119.2 |
N1A—C15A—C14A | 123.8 (2) | C7D—C6D—H6D | 119.2 |
N1A—C15A—H15A | 118.1 | C6D—C7D—C2D | 118.0 (2) |
C14A—C15A—H15A | 118.1 | C6D—C7D—C8D | 120.5 (2) |
N2A—C21A—C22A | 123.2 (2) | C2D—C7D—C8D | 121.5 (2) |
N2A—C21A—H21A | 118.4 | C9D—C8D—C7D | 125.1 (2) |
C22A—C21A—H21A | 118.4 | C9D—C8D—H8D | 117.4 |
C21A—C22A—C23A | 119.8 (2) | C7D—C8D—H8D | 117.4 |
C21A—C22A—H22A | 120.1 | C8D—C9D—C10D | 124.1 (2) |
C23A—C22A—H22A | 120.1 | C8D—C9D—H9D | 117.9 |
C22A—C23A—C24A | 117.0 (2) | C10D—C9D—H9D | 117.9 |
C22A—C23A—C13Aii | 121.7 (2) | O4D—C10D—O3D | 124.4 (2) |
C24A—C23A—C13Aii | 121.3 (2) | O4D—C10D—C9D | 116.8 (2) |
C25A—C24A—C23A | 119.2 (2) | O3D—C10D—C9D | 118.8 (2) |
| | | |
O4A—Co1—N1A—C15A | −103.7 (2) | C11B—C12B—C13B—C23Bii | 177.0 (2) |
O1A—Co1—N1A—C15A | 77.0 (2) | C12B—C13B—C14B—C15B | 0.0 (3) |
O2A—Co1—N1A—C15A | −16.0 (2) | C23Bii—C13B—C14B—C15B | −179.1 (2) |
O3A—Co1—N1A—C15A | 166.80 (19) | C11B—N1B—C15B—C14B | −2.4 (3) |
O4A—Co1—N1A—C11A | 71.84 (19) | Co2—N1B—C15B—C14B | 171.74 (18) |
O1A—Co1—N1A—C11A | −107.53 (19) | C13B—C14B—C15B—N1B | 2.4 (4) |
O2A—Co1—N1A—C11A | 159.52 (18) | C25B—N2B—C21B—C22B | −0.5 (4) |
O3A—Co1—N1A—C11A | −17.69 (18) | Co2—N2B—C21B—C22B | 171.83 (19) |
O4A—Co1—N2A—C25A | −111.1 (2) | N2B—C21B—C22B—C23B | −0.3 (4) |
O1A—Co1—N2A—C25A | 68.2 (2) | C21B—C22B—C23B—C24B | 0.7 (4) |
O2A—Co1—N2A—C25A | 161.2 (2) | C21B—C22B—C23B—C13Bi | −179.7 (2) |
O3A—Co1—N2A—C25A | −21.7 (2) | C22B—C23B—C24B—C25B | −0.4 (4) |
O4A—Co1—N2A—C21A | 74.11 (19) | C13Bi—C23B—C24B—C25B | −180.0 (2) |
O1A—Co1—N2A—C21A | −106.56 (19) | C21B—N2B—C25B—C24B | 0.9 (4) |
O2A—Co1—N2A—C21A | −13.58 (19) | Co2—N2B—C25B—C24B | −171.03 (18) |
O3A—Co1—N2A—C21A | 163.54 (19) | C23B—C24B—C25B—N2B | −0.5 (4) |
O4B—Co2—N1B—C11B | 66.34 (19) | O2C—C1C—C2C—C3C | 96.7 (3) |
O3B—Co2—N1B—C11B | −117.82 (19) | O1C—C1C—C2C—C3C | −83.9 (3) |
O1B—Co2—N1B—C11B | −26.44 (19) | O2C—C1C—C2C—C7C | −77.3 (3) |
O2B—Co2—N1B—C11B | 155.87 (19) | O1C—C1C—C2C—C7C | 102.1 (3) |
O4B—Co2—N1B—C15B | −107.53 (19) | C7C—C2C—C3C—C4C | −1.1 (3) |
O3B—Co2—N1B—C15B | 68.31 (19) | C1C—C2C—C3C—C4C | −175.0 (2) |
O1B—Co2—N1B—C15B | 159.69 (19) | C2C—C3C—C4C—C5C | −1.5 (4) |
O2B—Co2—N1B—C15B | −18.00 (19) | C3C—C4C—C5C—C6C | 2.2 (4) |
O4B—Co2—N2B—C25B | −52.79 (19) | C4C—C5C—C6C—C7C | −0.4 (4) |
O3B—Co2—N2B—C25B | 131.34 (19) | C3C—C2C—C7C—C6C | 2.8 (3) |
O1B—Co2—N2B—C25B | 40.02 (19) | C1C—C2C—C7C—C6C | 176.7 (2) |
O2B—Co2—N2B—C25B | −142.28 (19) | C3C—C2C—C7C—C8C | −174.9 (2) |
O4B—Co2—N2B—C21B | 135.51 (19) | C1C—C2C—C7C—C8C | −1.0 (3) |
O3B—Co2—N2B—C21B | −40.36 (18) | C5C—C6C—C7C—C2C | −2.1 (3) |
O1B—Co2—N2B—C21B | −131.68 (19) | C5C—C6C—C7C—C8C | 175.5 (2) |
O2B—Co2—N2B—C21B | 46.02 (18) | C2C—C7C—C8C—C9C | 158.5 (2) |
C15A—N1A—C11A—C12A | −0.3 (3) | C6C—C7C—C8C—C9C | −19.1 (4) |
Co1—N1A—C11A—C12A | −176.12 (18) | C7C—C8C—C9C—C10C | 178.3 (2) |
N1A—C11A—C12A—C13A | 1.7 (4) | C8C—C9C—C10C—O3C | −165.7 (2) |
C11A—C12A—C13A—C14A | −1.3 (4) | C8C—C9C—C10C—O4C | 12.7 (3) |
C11A—C12A—C13A—C23Ai | 177.9 (2) | O1D—C1D—C2D—C3D | 45.8 (3) |
C12A—C13A—C14A—C15A | −0.4 (3) | O2D—C1D—C2D—C3D | −134.0 (2) |
C23Ai—C13A—C14A—C15A | −179.5 (2) | O1D—C1D—C2D—C7D | −134.9 (2) |
C11A—N1A—C15A—C14A | −1.5 (3) | O2D—C1D—C2D—C7D | 45.3 (3) |
Co1—N1A—C15A—C14A | 174.05 (18) | C7D—C2D—C3D—C4D | −0.2 (4) |
C13A—C14A—C15A—N1A | 1.9 (4) | C1D—C2D—C3D—C4D | 179.1 (2) |
C25A—N2A—C21A—C22A | −1.1 (4) | C2D—C3D—C4D—C5D | 2.4 (4) |
Co1—N2A—C21A—C22A | 174.02 (18) | C3D—C4D—C5D—C6D | −2.2 (4) |
N2A—C21A—C22A—C23A | 2.2 (4) | C4D—C5D—C6D—C7D | −0.1 (4) |
C21A—C22A—C23A—C24A | −1.3 (4) | C5D—C6D—C7D—C2D | 2.2 (4) |
C21A—C22A—C23A—C13Aii | 179.7 (2) | C5D—C6D—C7D—C8D | −178.4 (2) |
C22A—C23A—C24A—C25A | −0.5 (4) | C3D—C2D—C7D—C6D | −2.0 (3) |
C13Aii—C23A—C24A—C25A | 178.4 (2) | C1D—C2D—C7D—C6D | 178.8 (2) |
C21A—N2A—C25A—C24A | −0.9 (4) | C3D—C2D—C7D—C8D | 178.6 (2) |
Co1—N2A—C25A—C24A | −175.88 (18) | C1D—C2D—C7D—C8D | −0.6 (3) |
C23A—C24A—C25A—N2A | 1.7 (4) | C6D—C7D—C8D—C9D | 27.9 (4) |
C15B—N1B—C11B—C12B | 0.2 (4) | C2D—C7D—C8D—C9D | −152.8 (2) |
Co2—N1B—C11B—C12B | −174.12 (19) | C7D—C8D—C9D—C10D | 174.9 (2) |
N1B—C11B—C12B—C13B | 2.1 (4) | C8D—C9D—C10D—O4D | −170.6 (2) |
C11B—C12B—C13B—C14B | −2.1 (3) | C8D—C9D—C10D—O3D | 7.6 (3) |
Symmetry codes: (i) x, y+1, z; (ii) x, y−1, z. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O1A—H1A1···O1D | 0.83 (2) | 1.92 (2) | 2.750 (3) | 170 (3) |
O1A—H1A2···O3Ciii | 0.86 (2) | 1.86 (2) | 2.711 (3) | 169 (3) |
O2A—H2A2···O1W | 0.84 (2) | 1.83 (2) | 2.663 (3) | 175 (3) |
O2A—H2A1···O3Wiv | 0.84 (2) | 1.96 (2) | 2.782 (3) | 171 (2) |
O3A—H3A2···O2W | 0.82 (2) | 1.93 (2) | 2.726 (3) | 166 (3) |
O3A—H3A1···O2Dv | 0.83 (2) | 1.91 (2) | 2.734 (3) | 174 (3) |
O4A—H4A2···O4Civ | 0.84 (2) | 1.92 (2) | 2.738 (3) | 166 (2) |
O4A—H4A1···O1Dv | 0.84 (2) | 1.90 (2) | 2.735 (3) | 178 (2) |
O1B—H1B1···O2C | 0.84 (2) | 1.75 (2) | 2.582 (2) | 170 (2) |
O1B—H1B2···O3W | 0.86 (2) | 1.92 (2) | 2.774 (3) | 171 (2) |
O2B—H2B2···O4W | 0.82 (2) | 2.01 (2) | 2.825 (3) | 179 (3) |
O2B—H2B1···O2W | 0.87 (2) | 2.00 (2) | 2.842 (3) | 165 (3) |
O3B—H3B2···O3Dv | 0.84 (2) | 1.95 (2) | 2.791 (3) | 171 (2) |
O3B—H3B1···O1C | 0.84 (2) | 1.83 (2) | 2.673 (2) | 173 (3) |
O4B—H4B2···O3D | 0.84 (2) | 1.92 (2) | 2.732 (2) | 162 (3) |
O4B—H4B1···O1Cvi | 0.85 (2) | 1.88 (2) | 2.706 (3) | 163 (2) |
O1W—H1W1···O4Ciii | 0.84 (2) | 1.93 (2) | 2.754 (3) | 169 (3) |
O1W—H1W2···O4Div | 0.85 (2) | 1.99 (2) | 2.825 (2) | 167 (3) |
O2W—H2W2···O4Wvi | 0.84 (2) | 2.19 (2) | 2.968 (3) | 156 (3) |
O2W—H2W1···O3D | 0.86 (2) | 1.85 (2) | 2.692 (2) | 168 (3) |
O3W—H3W2···O4Dv | 0.85 (2) | 1.88 (2) | 2.731 (2) | 178 (3) |
O3W—H3W1···O4C | 0.83 (2) | 2.00 (2) | 2.813 (2) | 165 (3) |
O4W—H4W2···O2Dv | 0.85 (2) | 1.95 (2) | 2.775 (2) | 163 (3) |
O4W—H4W1···O3Civ | 0.81 (2) | 1.95 (2) | 2.730 (2) | 162 (3) |
Symmetry codes: (iii) x+1, y, z−1; (iv) x, y, z−1; (v) x−1, y, z; (vi) x+1, y, z. |
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