The title compound, [Co(C10H7NO3)2]·3H2O, contains six-coordinate CoII with a mer-octahedral arrangement. The central Co atom is coordinated by the hydroxyl O atom, the quinoline N atom and a carboxylate O atom of each of the two tridentate ligands.
Supporting information
CCDC reference: 189871
Key indicators
- Single-crystal X-ray study
- T = 296 K
- Mean (C-C) = 0.007 Å
- R factor = 0.043
- wR factor = 0.162
- Data-to-parameter ratio = 14.2
checkCIF results
No syntax errors found
ADDSYM reports no extra symmetry
Data collection: MSC/AFC Diffractometer Control Software (Molecular Structure Corporation &
Rigaku, 1999); cell refinement: MSC/AFC Diffractometer Control Software; data reduction: TEXSAN (Molecular Structure Corporation & Rigaku, 1999); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: TEXSAN.
Crystal data top
[Co(C10H7NO3)2]·3H2O | Z = 2 |
Mr = 489.29 | F(000) = 502.0 |
Triclinic, P1 | Dx = 1.683 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.7107 Å |
a = 9.255 (1) Å | Cell parameters from 25 reflections |
b = 15.852 (3) Å | θ = 12.8–14.6° |
c = 7.192 (1) Å | µ = 0.95 mm−1 |
α = 97.46 (1)° | T = 296 K |
β = 107.12 (1)° | Prism, yellow |
γ = 102.03 (1)° | 0.15 × 0.10 × 0.10 mm |
V = 965.4 (3) Å3 | |
Data collection top
Rigaku AFC-5R diffractometer | Rint = 0.049 |
ω–2θ scans | θmax = 27.5° |
Absorption correction: ψ scan (North et al., 1968) | h = 0→12 |
Tmin = 0.892, Tmax = 0.909 | k = −20→20 |
4707 measured reflections | l = −9→8 |
4438 independent reflections | 3 standard reflections every 150 reflections |
2256 reflections with I > 2σ(I) | intensity decay: 0.2% |
Refinement top
Refinement on F2 | H atoms treated by a mixture of independent and constrained refinement |
R[F2 > 2σ(F2)] = 0.043 | w = 1/[σ2(Fo2) + (0.1P)2] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.162 | (Δ/σ)max < 0.001 |
S = 0.85 | Δρmax = 0.43 e Å−3 |
4438 reflections | Δρmin = −0.43 e Å−3 |
313 parameters | |
Special details top
Refinement. Refinement using reflections with F2 > -10.0 σ(F2). The
weighted R-factor (wR) and goodness of fit (S) are based
on F2. R-factor (gt) are based on F. The threshold
expression of F2 > 2.0 σ(F2) is used only for calculating
R-factor (gt). |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Co1 | 0.35207 (7) | 0.24758 (4) | 0.51576 (9) | 0.0319 (2) | |
O1 | 0.1317 (4) | 0.2541 (2) | 0.3276 (5) | 0.0432 (8) | |
O2 | −0.0253 (4) | 0.3459 (2) | 0.2895 (5) | 0.0534 (9) | |
O3E | 0.5861 (4) | 0.3048 (2) | 0.7474 (5) | 0.0413 (7) | |
O4 | 0.4626 (4) | 0.2390 (2) | 0.3029 (5) | 0.0442 (8) | |
O5 | 0.5243 (4) | 0.1378 (2) | 0.1115 (5) | 0.0494 (9) | |
O6E | 0.2426 (4) | 0.1922 (2) | 0.7353 (5) | 0.0477 (8) | |
O7 | 0.0482 (5) | 0.2382 (3) | 0.8926 (7) | 0.081 (1) | |
O8 | 0.7296 (4) | 0.2335 (2) | 0.9985 (5) | 0.0502 (9) | |
O9 | 0.8482 (6) | 0.3032 (4) | 0.6062 (9) | 0.098 (2) | |
N1 | 0.3603 (4) | 0.3729 (2) | 0.5872 (5) | 0.0305 (8) | |
N2 | 0.3328 (4) | 0.1194 (2) | 0.4604 (5) | 0.0330 (8) | |
C1 | 0.2374 (5) | 0.4017 (3) | 0.5009 (6) | 0.0325 (9) | |
C2 | 0.2388 (6) | 0.4908 (3) | 0.5403 (7) | 0.039 (1) | |
C3 | 0.3718 (6) | 0.5504 (3) | 0.6686 (7) | 0.037 (1) | |
C4 | 0.5056 (5) | 0.5218 (3) | 0.7625 (6) | 0.0339 (10) | |
C5 | 0.6482 (6) | 0.5761 (3) | 0.8960 (7) | 0.040 (1) | |
C6 | 0.7662 (6) | 0.5390 (3) | 0.9773 (7) | 0.041 (1) | |
C7 | 0.7524 (5) | 0.4478 (3) | 0.9356 (7) | 0.039 (1) | |
C8 | 0.6166 (5) | 0.3935 (3) | 0.8045 (6) | 0.0320 (9) | |
C9 | 0.4932 (5) | 0.4306 (3) | 0.7182 (6) | 0.0291 (9) | |
C10 | 0.1029 (5) | 0.3287 (3) | 0.3620 (7) | 0.038 (1) | |
C11 | 0.3831 (5) | 0.0887 (3) | 0.3179 (6) | 0.0343 (10) | |
C12 | 0.3633 (6) | −0.0016 (3) | 0.2561 (7) | 0.044 (1) | |
C13 | 0.2933 (6) | −0.0590 (3) | 0.3505 (8) | 0.046 (1) | |
C14 | 0.2405 (5) | −0.0280 (3) | 0.5051 (7) | 0.040 (1) | |
C15 | 0.1658 (6) | −0.0802 (3) | 0.6111 (9) | 0.051 (1) | |
C16 | 0.1157 (6) | −0.0436 (4) | 0.7516 (8) | 0.053 (1) | |
C17 | 0.1404 (6) | 0.0487 (4) | 0.8024 (8) | 0.050 (1) | |
C18 | 0.2138 (5) | 0.1021 (3) | 0.7048 (7) | 0.039 (1) | |
C19 | 0.2638 (5) | 0.0641 (3) | 0.5558 (7) | 0.036 (1) | |
C20 | 0.4622 (5) | 0.1609 (3) | 0.2344 (7) | 0.037 (1) | |
H2 | 0.1506 | 0.5093 | 0.4803 | 0.0473* | |
H3 | 0.3744 | 0.6098 | 0.6941 | 0.0446* | |
H3E | 0.632 (6) | 0.278 (3) | 0.846 (7) | 0.0619* | |
H5 | 0.6620 | 0.6367 | 0.9287 | 0.0482* | |
H6 | 0.8604 | 0.5757 | 1.0646 | 0.0491* | |
H6E | 0.172 (6) | 0.206 (4) | 0.790 (9) | 0.0715* | |
H7 | 0.8350 | 0.4251 | 0.9968 | 0.0464* | |
H7A | 0.040 (9) | 0.226 (6) | 1.008 (8) | 0.1216* | |
H7B | −0.034 (7) | 0.253 (5) | 0.811 (9) | 0.1216* | |
H8A | 0.818 (5) | 0.268 (3) | 1.090 (7) | 0.0753* | |
H8B | 0.656 (5) | 0.206 (4) | 1.045 (8) | 0.0753* | |
H9A | 0.891 (9) | 0.319 (6) | 0.51 (1) | 0.1468* | |
H9B | 0.742 (4) | 0.294 (6) | 0.57 (1) | 0.1468* | |
H12 | 0.3969 | −0.0222 | 0.1534 | 0.0523* | |
H13 | 0.2804 | −0.1192 | 0.3121 | 0.0550* | |
H15 | 0.1509 | −0.1409 | 0.5837 | 0.0617* | |
H16 | 0.0637 | −0.0797 | 0.8166 | 0.0633* | |
H17 | 0.1069 | 0.0730 | 0.9019 | 0.0605* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Co1 | 0.0340 (3) | 0.0242 (3) | 0.0351 (3) | 0.0064 (2) | 0.0093 (3) | 0.0053 (2) |
O1 | 0.041 (2) | 0.031 (2) | 0.049 (2) | 0.004 (1) | 0.008 (2) | 0.004 (1) |
O2 | 0.036 (2) | 0.054 (2) | 0.060 (2) | 0.011 (2) | 0.001 (2) | 0.012 (2) |
O3E | 0.043 (2) | 0.033 (2) | 0.040 (2) | 0.010 (1) | 0.005 (2) | 0.002 (1) |
O4 | 0.055 (2) | 0.031 (2) | 0.049 (2) | 0.007 (1) | 0.025 (2) | 0.008 (1) |
O5 | 0.056 (2) | 0.047 (2) | 0.051 (2) | 0.011 (2) | 0.030 (2) | 0.008 (2) |
O6E | 0.054 (2) | 0.040 (2) | 0.055 (2) | 0.012 (2) | 0.028 (2) | 0.009 (2) |
O7 | 0.066 (3) | 0.088 (3) | 0.085 (3) | 0.013 (2) | 0.038 (3) | −0.014 (3) |
O8 | 0.050 (2) | 0.048 (2) | 0.044 (2) | 0.004 (2) | 0.009 (2) | 0.013 (2) |
O9 | 0.090 (4) | 0.118 (4) | 0.118 (4) | 0.046 (4) | 0.063 (4) | 0.037 (4) |
N1 | 0.031 (2) | 0.030 (2) | 0.027 (2) | 0.001 (1) | 0.008 (2) | 0.004 (1) |
N2 | 0.034 (2) | 0.029 (2) | 0.035 (2) | 0.010 (2) | 0.007 (2) | 0.008 (2) |
C1 | 0.033 (2) | 0.034 (2) | 0.032 (2) | 0.009 (2) | 0.013 (2) | 0.005 (2) |
C2 | 0.045 (3) | 0.039 (2) | 0.041 (3) | 0.018 (2) | 0.017 (2) | 0.013 (2) |
C3 | 0.049 (3) | 0.029 (2) | 0.036 (2) | 0.009 (2) | 0.018 (2) | 0.005 (2) |
C4 | 0.041 (3) | 0.030 (2) | 0.032 (2) | 0.005 (2) | 0.016 (2) | 0.008 (2) |
C5 | 0.048 (3) | 0.029 (2) | 0.037 (2) | −0.002 (2) | 0.017 (2) | −0.001 (2) |
C6 | 0.034 (2) | 0.041 (3) | 0.038 (3) | −0.002 (2) | 0.009 (2) | 0.003 (2) |
C7 | 0.037 (3) | 0.040 (2) | 0.037 (3) | 0.006 (2) | 0.010 (2) | 0.011 (2) |
C8 | 0.032 (2) | 0.031 (2) | 0.032 (2) | 0.005 (2) | 0.011 (2) | 0.006 (2) |
C9 | 0.036 (2) | 0.026 (2) | 0.026 (2) | 0.004 (2) | 0.015 (2) | 0.005 (2) |
C10 | 0.032 (3) | 0.039 (3) | 0.040 (3) | 0.006 (2) | 0.006 (2) | 0.011 (2) |
C11 | 0.029 (2) | 0.035 (2) | 0.036 (2) | 0.008 (2) | 0.006 (2) | 0.007 (2) |
C12 | 0.042 (3) | 0.039 (3) | 0.040 (3) | 0.011 (2) | 0.003 (2) | 0.001 (2) |
C13 | 0.044 (3) | 0.026 (2) | 0.057 (3) | 0.005 (2) | 0.005 (2) | 0.005 (2) |
C14 | 0.029 (2) | 0.032 (2) | 0.049 (3) | 0.004 (2) | 0.000 (2) | 0.012 (2) |
C15 | 0.046 (3) | 0.035 (3) | 0.065 (4) | 0.005 (2) | 0.006 (3) | 0.023 (2) |
C16 | 0.046 (3) | 0.050 (3) | 0.057 (3) | 0.001 (2) | 0.010 (3) | 0.029 (3) |
C17 | 0.041 (3) | 0.062 (3) | 0.048 (3) | 0.011 (2) | 0.011 (2) | 0.023 (3) |
C18 | 0.037 (3) | 0.038 (2) | 0.036 (2) | 0.007 (2) | 0.006 (2) | 0.012 (2) |
C19 | 0.029 (2) | 0.036 (2) | 0.039 (3) | 0.008 (2) | 0.004 (2) | 0.013 (2) |
C20 | 0.036 (2) | 0.036 (2) | 0.035 (2) | 0.008 (2) | 0.007 (2) | 0.008 (2) |
Geometric parameters (Å, º) top
Co1—O1 | 2.122 (3) | C2—H2 | 0.930 |
Co1—O3E | 2.226 (3) | C3—C4 | 1.420 (7) |
Co1—O4 | 2.082 (4) | C3—H3 | 0.930 |
Co1—O6E | 2.285 (4) | C4—C5 | 1.403 (5) |
Co1—N1 | 1.966 (4) | C4—C9 | 1.413 (6) |
Co1—N2 | 1.979 (4) | C5—C6 | 1.365 (7) |
O1—C10 | 1.274 (6) | C5—H5 | 0.930 |
O2—C10 | 1.250 (6) | C6—C7 | 1.408 (7) |
O3E—C8 | 1.358 (5) | C6—H6 | 0.930 |
O3E—H3E | 0.92 (5) | C7—C8 | 1.361 (5) |
O4—C20 | 1.272 (6) | C7—H7 | 0.930 |
O5—C20 | 1.244 (7) | C8—C9 | 1.412 (6) |
O6E—C18 | 1.373 (6) | C11—C12 | 1.399 (6) |
O6E—H6E | 0.90 (5) | C11—C20 | 1.514 (7) |
O7—H7A | 0.90 (6) | C12—C13 | 1.372 (8) |
O7—H7B | 0.91 (7) | C12—H12 | 0.930 |
O8—H8A | 0.90 (5) | C13—C14 | 1.412 (8) |
O8—H8B | 0.90 (5) | C13—H13 | 0.930 |
O9—H9A | 0.93 (8) | C14—C15 | 1.407 (8) |
O9—H9B | 0.91 (5) | C14—C19 | 1.413 (6) |
N1—C1 | 1.328 (6) | C15—C16 | 1.345 (9) |
N1—C9 | 1.364 (4) | C15—H15 | 0.930 |
N2—C11 | 1.323 (7) | C16—C17 | 1.414 (8) |
N2—C19 | 1.351 (6) | C16—H16 | 0.930 |
C1—C2 | 1.400 (7) | C17—C18 | 1.365 (8) |
C1—C10 | 1.501 (5) | C17—H17 | 0.930 |
C2—C3 | 1.371 (5) | C18—C19 | 1.402 (8) |
| | | |
O1···O7i | 2.956 (6) | O9···C10x | 3.321 (9) |
O1···C16ii | 3.502 (6) | N1···C4v | 3.566 (6) |
O2···O8iii | 2.693 (4) | C1···C5v | 3.358 (7) |
O2···O9iv | 2.942 (8) | C1···C4v | 3.572 (7) |
O2···O7i | 3.448 (7) | C2···C6viii | 3.573 (7) |
O2···C7iii | 3.562 (6) | C3···C7viii | 3.368 (8) |
O4···C3v | 3.322 (5) | C3···C9v | 3.390 (7) |
O5···O8i | 2.569 (6) | C3···C6viii | 3.496 (8) |
O5···C18i | 3.328 (5) | C4···C5viii | 3.549 (7) |
O5···C15vi | 3.352 (7) | C4···C4viii | 3.598 (10) |
O5···C17i | 3.464 (6) | C5···C9viii | 3.402 (7) |
O5···O6Ei | 3.500 (5) | C5···C10v | 3.581 (8) |
O7···O9iv | 2.798 (8) | C11···C13vi | 3.399 (7) |
O7···O8iv | 3.244 (7) | C12···C13vi | 3.428 (6) |
O7···C10vii | 3.338 (7) | C12···C14vi | 3.461 (7) |
O7···C5viii | 3.427 (6) | C12···C16i | 3.564 (7) |
O7···C6viii | 3.460 (7) | C12···C17i | 3.597 (7) |
O7···C13ii | 3.581 (6) | C14···C17ii | 3.488 (7) |
O8···C13vi | 3.411 (6) | C15···C18ii | 3.495 (7) |
O8···C20vii | 3.481 (7) | C16···C19ii | 3.477 (7) |
O8···C10ix | 3.540 (5) | C17···C20vii | 3.549 (6) |
| | | |
O1—Co1—O3E | 153.9 (1) | C6—C5—H5 | 120.4 |
O1—Co1—O4 | 98.1 (1) | C5—C6—C7 | 123.3 (4) |
O1—Co1—O6E | 91.7 (1) | C5—C6—H6 | 118.4 |
O1—Co1—N1 | 77.8 (1) | C7—C6—H6 | 118.4 |
O1—Co1—N2 | 101.4 (1) | C6—C7—C8 | 119.0 (4) |
O3E—Co1—O4 | 88.8 (1) | C6—C7—H7 | 120.5 |
O3E—Co1—O6E | 93.1 (1) | C8—C7—H7 | 120.5 |
O3E—Co1—N1 | 76.0 (1) | O3E—C8—C7 | 126.0 (4) |
O3E—Co1—N2 | 104.6 (1) | O3E—C8—C9 | 115.4 (3) |
O4—Co1—O6E | 153.4 (1) | C7—C8—C9 | 118.6 (4) |
O4—Co1—N1 | 105.8 (1) | N1—C9—C4 | 121.6 (4) |
O4—Co1—N2 | 79.4 (2) | N1—C9—C8 | 115.9 (4) |
O6E—Co1—N1 | 100.4 (2) | C4—C9—C8 | 122.5 (3) |
O6E—Co1—N2 | 74.5 (2) | O1—C10—O2 | 126.0 (4) |
N1—Co1—N2 | 174.8 (2) | O1—C10—C1 | 116.0 (4) |
Co1—O1—C10 | 113.7 (2) | O2—C10—C1 | 118.0 (4) |
Co1—O3E—C8 | 111.9 (3) | N2—C11—C12 | 121.8 (5) |
Co1—O3E—H3E | 125 (3) | N2—C11—C20 | 112.9 (4) |
C8—O3E—H3E | 114 (3) | C12—C11—C20 | 125.3 (5) |
Co1—O4—C20 | 113.9 (3) | C11—C12—C13 | 118.6 (5) |
Co1—O6E—C18 | 111.6 (3) | C11—C12—H12 | 120.7 |
Co1—O6E—H6E | 134 (4) | C13—C12—H12 | 120.7 |
C18—O6E—H6E | 106 (4) | C12—C13—C14 | 120.8 (4) |
H7A—O7—H7B | 117 (7) | C12—C13—H13 | 119.6 |
H8A—O8—H8B | 116 (5) | C14—C13—H13 | 119.6 |
H9A—O9—H9B | 115 (7) | C13—C14—C15 | 126.1 (4) |
Co1—N1—C1 | 119.4 (2) | C13—C14—C19 | 116.6 (5) |
Co1—N1—C9 | 120.5 (3) | C15—C14—C19 | 117.3 (5) |
C1—N1—C9 | 120.1 (4) | C14—C15—C16 | 121.0 (5) |
Co1—N2—C11 | 117.2 (3) | C14—C15—H15 | 119.5 |
Co1—N2—C19 | 121.9 (3) | C16—C15—H15 | 119.5 |
C11—N2—C19 | 120.7 (4) | C15—C16—C17 | 121.3 (6) |
N1—C1—C2 | 121.9 (3) | C15—C16—H16 | 119.3 |
N1—C1—C10 | 112.2 (4) | C17—C16—H16 | 119.3 |
C2—C1—C10 | 125.9 (4) | C16—C17—C18 | 119.7 (6) |
C1—C2—C3 | 119.2 (5) | C16—C17—H17 | 120.2 |
C1—C2—H2 | 120.4 | C18—C17—H17 | 120.1 |
C3—C2—H2 | 120.4 | O6E—C18—C17 | 126.1 (5) |
C2—C3—C4 | 120.3 (4) | O6E—C18—C19 | 114.7 (5) |
C2—C3—H3 | 119.8 | C17—C18—C19 | 119.2 (5) |
C4—C3—H3 | 119.8 | N2—C19—C14 | 121.4 (5) |
C3—C4—C5 | 125.7 (4) | N2—C19—C18 | 117.1 (4) |
C3—C4—C9 | 116.8 (3) | C14—C19—C18 | 121.4 (5) |
C5—C4—C9 | 117.4 (4) | O4—C20—O5 | 127.0 (5) |
C4—C5—C6 | 119.2 (4) | O4—C20—C11 | 116.3 (5) |
C4—C5—H5 | 120.4 | O5—C20—C11 | 116.7 (4) |
| | | |
Co1—O1—C10—O2 | −170.5 (4) | O6E—Co1—N2—C19 | 3.9 (3) |
Co1—O1—C10—C1 | 10.2 (6) | O6E—C18—C17—C16 | 178.5 (4) |
Co1—O3E—C8—C7 | −176.5 (4) | O6E—C18—C19—N2 | −0.2 (6) |
Co1—O3E—C8—C9 | 4.0 (5) | O6E—C18—C19—C14 | −179.1 (4) |
Co1—O4—C20—O5 | −177.5 (4) | N1—Co1—O1—C10 | −6.9 (4) |
Co1—O4—C20—C11 | 0.0 (5) | N1—Co1—O3E—C8 | −4.4 (3) |
Co1—O6E—C18—C17 | −175.7 (4) | N1—Co1—O4—C20 | −177.5 (3) |
Co1—O6E—C18—C19 | 3.1 (5) | N1—Co1—O6E—C18 | 175.6 (3) |
Co1—N1—C1—C2 | −177.5 (4) | N1—C1—C2—C3 | 1.3 (8) |
Co1—N1—C1—C10 | 2.6 (6) | N1—C9—C4—C3 | 1.7 (7) |
Co1—N1—C9—C4 | 176.0 (4) | N1—C9—C4—C5 | −178.7 (5) |
Co1—N1—C9—C8 | −3.6 (6) | N1—C9—C8—C7 | 179.7 (5) |
Co1—N2—C11—C12 | −174.7 (3) | N2—Co1—O1—C10 | 167.9 (4) |
Co1—N2—C11—C20 | 5.5 (4) | N2—Co1—O3E—C8 | −179.1 (3) |
Co1—N2—C19—C14 | 175.4 (3) | N2—Co1—O4—C20 | 2.3 (3) |
Co1—N2—C19—C18 | −3.5 (5) | N2—Co1—O6E—C18 | −3.7 (3) |
O1—Co1—O3E—C8 | −4.0 (5) | N2—C11—C12—C13 | −1.7 (6) |
O1—Co1—O4—C20 | −97.9 (3) | N2—C19—C14—C13 | 0.2 (6) |
O1—Co1—O6E—C18 | 97.7 (3) | N2—C19—C14—C15 | −179.2 (4) |
O1—Co1—N1—C1 | 1.9 (4) | N2—C19—C18—C17 | 178.6 (4) |
O1—Co1—N1—C9 | −175.5 (4) | C1—N1—C9—C4 | −1.4 (7) |
O1—Co1—N2—C11 | 91.8 (3) | C1—N1—C9—C8 | 179.0 (4) |
O1—Co1—N2—C19 | −84.8 (3) | C1—C2—C3—C4 | −1.0 (8) |
O1—C10—C1—N1 | −8.7 (7) | C2—C1—N1—C9 | −0.1 (7) |
O1—C10—C1—C2 | 171.4 (5) | C2—C3—C4—C5 | 180.0 (5) |
O2—C10—C1—N1 | 171.9 (5) | C2—C3—C4—C9 | −0.5 (8) |
O2—C10—C1—C2 | −7.9 (8) | C3—C2—C1—C10 | −178.8 (5) |
O3E—Co1—O1—C10 | −7.3 (6) | C3—C4—C5—C6 | 179.0 (5) |
O3E—Co1—O4—C20 | 107.4 (3) | C3—C4—C9—C8 | −178.8 (5) |
O3E—Co1—O6E—C18 | −108.0 (3) | C4—C5—C6—C7 | −0.6 (9) |
O3E—Co1—N1—C1 | −178.3 (4) | C4—C9—C8—C7 | 0.1 (8) |
O3E—Co1—N1—C9 | 4.3 (3) | C5—C4—C9—C8 | 0.8 (7) |
O3E—Co1—N2—C11 | −90.4 (3) | C5—C6—C7—C8 | 1.6 (8) |
O3E—Co1—N2—C19 | 93.0 (3) | C6—C5—C4—C9 | −0.6 (8) |
O3E—C8—C7—C6 | 179.2 (5) | C6—C7—C8—C9 | −1.3 (8) |
O3E—C8—C9—N1 | −0.7 (6) | C9—N1—C1—C10 | 180.0 (4) |
O3E—C8—C9—C4 | 179.7 (5) | C11—N2—C19—C14 | −1.1 (6) |
O4—Co1—O1—C10 | −111.4 (4) | C11—N2—C19—C18 | −180.0 (4) |
O4—Co1—O3E—C8 | 102.2 (3) | C11—C12—C13—C14 | 0.7 (7) |
O4—Co1—O6E—C18 | −14.3 (4) | C12—C11—N2—C19 | 1.9 (6) |
O4—Co1—N1—C1 | 97.0 (4) | C12—C13—C14—C15 | 179.3 (5) |
O4—Co1—N1—C9 | −80.4 (4) | C12—C13—C14—C19 | 0.0 (6) |
O4—Co1—N2—C11 | −4.4 (3) | C13—C12—C11—C20 | 178.0 (4) |
O4—Co1—N2—C19 | 179.0 (3) | C13—C14—C15—C16 | −177.8 (5) |
O4—C20—C11—N2 | −3.5 (5) | C13—C14—C19—C18 | 179.0 (4) |
O4—C20—C11—C12 | 176.8 (4) | C14—C15—C16—C17 | −2.1 (8) |
O5—C20—C11—N2 | 174.2 (4) | C14—C19—C18—C17 | −0.3 (6) |
O5—C20—C11—C12 | −5.5 (6) | C15—C14—C19—C18 | −0.4 (6) |
O6E—Co1—O1—C10 | 93.4 (4) | C15—C16—C17—C18 | 1.4 (7) |
O6E—Co1—O3E—C8 | −104.3 (3) | C16—C15—C14—C19 | 1.5 (7) |
O6E—Co1—O4—C20 | 12.7 (5) | C16—C17—C18—C19 | −0.2 (7) |
O6E—Co1—N1—C1 | −87.6 (4) | C19—N2—C11—C20 | −177.9 (4) |
O6E—Co1—N1—C9 | 95.0 (4) | C19—N2—C11—C20 | −177.9 (4) |
O6E—Co1—N2—C11 | −179.6 (3) | | |
Symmetry codes: (i) x, y, z−1; (ii) −x, −y, −z+1; (iii) x−1, y, z−1; (iv) x−1, y, z; (v) −x+1, −y+1, −z+1; (vi) −x+1, −y, −z+1; (vii) x, y, z+1; (viii) −x+1, −y+1, −z+2; (ix) x+1, y, z+1; (x) x+1, y, z. |
Hydrogen-bond geometry (º) top
D—H···A | D—H···A |
O3E—H3E···O8 | 171 (6) |
O6E—H6E···O7 | 176 (5) |