Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804011341/hb6039sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804011341/hb6039Isup2.hkl |
CCDC reference: 242043
Data collection: SMART (Bruker, 1995); cell refinement: SAINT (Bruker, 1995); data reduction: SAINT and XPREP (Bruker, 1995); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: WinGX (Farrugia, 1999); software used to prepare material for publication: ORTEP-3 for Windows (Farrugia, 1997).
[CoCl(C18H18N4)(H2O)](ClO4)2·H2O | F(000) = 1264 |
Mr = 619.68 | Dx = 1.661 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 1006 reflections |
a = 11.882 (2) Å | θ = 2.7–27.4° |
b = 16.367 (3) Å | µ = 1.08 mm−1 |
c = 12.744 (3) Å | T = 150 K |
β = 90.353 (3)° | Block, purple |
V = 2478.5 (9) Å3 | 0.49 × 0.38 × 0.19 mm |
Z = 4 |
Bruker SMART1000 CCD diffractometer | 5830 independent reflections |
Radiation source: fine-focus sealed tube | 4486 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.027 |
ω scans | θmax = 28.0°, θmin = 1.7° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −15→15 |
Tmin = 0.628, Tmax = 0.815 | k = −21→21 |
23833 measured reflections | l = −16→16 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.037 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.108 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.07 | w = 1/[σ2(Fo2) + (0.0669P)2 + 0.0165P] where P = (Fo2 + 2Fc2)/3 |
5830 reflections | (Δ/σ)max = 0.001 |
377 parameters | Δρmax = 0.51 e Å−3 |
0 restraints | Δρmin = −0.37 e Å−3 |
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. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Co1 | 0.76235 (2) | 0.141385 (16) | 0.28829 (2) | 0.02811 (10) | |
Cl1 | 0.76105 (5) | 0.21723 (3) | 0.43276 (4) | 0.03919 (14) | |
O1 | 0.72365 (16) | 0.23648 (10) | 0.20614 (13) | 0.0379 (4) | |
H10A | 0.769 (3) | 0.274 (2) | 0.208 (2) | 0.053 (9)* | |
H10B | 0.646 (3) | 0.258 (2) | 0.222 (2) | 0.069 (9)* | |
N1 | 0.91744 (15) | 0.16105 (11) | 0.25322 (13) | 0.0310 (4) | |
N2 | 0.80345 (14) | 0.04209 (10) | 0.35953 (13) | 0.0274 (4) | |
N3 | 0.60598 (15) | 0.10924 (12) | 0.29796 (15) | 0.0370 (4) | |
N4 | 0.75999 (16) | 0.07759 (11) | 0.15897 (13) | 0.0333 (4) | |
C1 | 0.99880 (19) | 0.18744 (13) | 0.31829 (17) | 0.0347 (5) | |
H1 | 0.9806 | 0.2003 | 0.3889 | 0.042* | |
C2 | 1.1081 (2) | 0.19627 (15) | 0.2851 (2) | 0.0439 (6) | |
H2 | 1.1647 | 0.2151 | 0.3322 | 0.053* | |
C3 | 1.1346 (2) | 0.17756 (17) | 0.1828 (2) | 0.0519 (7) | |
H3 | 1.2098 | 0.1833 | 0.1587 | 0.062* | |
C4 | 1.0510 (2) | 0.15042 (16) | 0.1154 (2) | 0.0489 (6) | |
H4 | 1.0678 | 0.1377 | 0.0444 | 0.059* | |
C5 | 0.9430 (2) | 0.14211 (14) | 0.15277 (17) | 0.0377 (5) | |
C6 | 0.8448 (2) | 0.11486 (16) | 0.08704 (17) | 0.0424 (6) | |
H6A | 0.8114 | 0.1621 | 0.0496 | 0.051* | |
H6B | 0.8695 | 0.0743 | 0.0344 | 0.051* | |
C7 | 0.82774 (17) | 0.03308 (14) | 0.46247 (16) | 0.0320 (4) | |
H7 | 0.8287 | 0.0798 | 0.5068 | 0.038* | |
C8 | 0.8512 (2) | −0.04268 (15) | 0.50443 (17) | 0.0392 (5) | |
H8 | 0.8689 | −0.0480 | 0.5769 | 0.047* | |
C9 | 0.8489 (2) | −0.11088 (16) | 0.44056 (19) | 0.0438 (6) | |
H9 | 0.8639 | −0.1635 | 0.4688 | 0.053* | |
C10 | 0.8248 (2) | −0.10161 (14) | 0.33548 (18) | 0.0418 (5) | |
H10 | 0.8220 | −0.1477 | 0.2903 | 0.050* | |
C11 | 0.80455 (18) | −0.02385 (13) | 0.29681 (16) | 0.0316 (4) | |
C12 | 0.7888 (2) | −0.00943 (14) | 0.18251 (17) | 0.0408 (5) | |
H12A | 0.7278 | −0.0452 | 0.1559 | 0.049* | |
H12B | 0.8588 | −0.0242 | 0.1453 | 0.049* | |
C13 | 0.5422 (2) | 0.11014 (17) | 0.3842 (2) | 0.0487 (6) | |
H13 | 0.5713 | 0.1334 | 0.4471 | 0.058* | |
C14 | 0.4348 (2) | 0.0779 (2) | 0.3834 (3) | 0.0735 (10) | |
H14 | 0.3904 | 0.0791 | 0.4451 | 0.088* | |
C15 | 0.3927 (3) | 0.0441 (3) | 0.2928 (3) | 0.0826 (11) | |
H15 | 0.3190 | 0.0217 | 0.2912 | 0.099* | |
C16 | 0.4587 (3) | 0.0431 (2) | 0.2039 (3) | 0.0729 (10) | |
H16 | 0.4312 | 0.0191 | 0.1409 | 0.088* | |
C17 | 0.5649 (2) | 0.07712 (16) | 0.2074 (2) | 0.0468 (6) | |
C18 | 0.6428 (2) | 0.08390 (16) | 0.11659 (19) | 0.0452 (6) | |
H18A | 0.6320 | 0.1369 | 0.0805 | 0.054* | |
H18B | 0.6281 | 0.0394 | 0.0657 | 0.054* | |
Cl2 | 0.89613 (5) | 0.41897 (3) | 0.28661 (4) | 0.03749 (14) | |
O2 | 0.97740 (14) | 0.38819 (12) | 0.35987 (13) | 0.0495 (4) | |
O3 | 0.93851 (17) | 0.49084 (11) | 0.23601 (14) | 0.0545 (5) | |
O4 | 0.79298 (16) | 0.43535 (15) | 0.33940 (16) | 0.0664 (6) | |
O5 | 0.8773 (2) | 0.35792 (12) | 0.20633 (15) | 0.0609 (6) | |
Cl3 | 0.37223 (6) | 0.18579 (4) | 0.95830 (6) | 0.05160 (17) | |
O6 | 0.3363 (4) | 0.1915 (3) | 0.8534 (3) | 0.0918 (16) | 0.66 |
O7 | 0.3282 (5) | 0.1121 (2) | 1.0049 (3) | 0.0906 (14) | 0.66 |
O8 | 0.3396 (7) | 0.2502 (3) | 1.0185 (6) | 0.151 (3) | 0.66 |
O9 | 0.4900 (3) | 0.1824 (5) | 0.9560 (4) | 0.1174 (19) | 0.66 |
O6' | 0.2535 (5) | 0.1727 (5) | 0.9626 (6) | 0.079 (2) | 0.34 |
O7' | 0.4353 (8) | 0.1197 (5) | 0.9464 (7) | 0.086 (3) | 0.34 |
O8' | 0.3748 (10) | 0.2408 (8) | 0.8641 (12) | 0.161 (6) | 0.34 |
O9' | 0.3934 (11) | 0.2327 (9) | 1.0456 (13) | 0.185 (9) | 0.34 |
O1W | 0.5220 (3) | 0.2960 (2) | 0.2008 (3) | 0.1023 (10) | |
H1W | 0.5515 (18) | 0.3224 (13) | 0.2633 (18) | 0.017 (5)* | |
H2W | 0.473 (2) | 0.3377 (17) | 0.176 (2) | 0.046 (8)* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Co1 | 0.03459 (17) | 0.02559 (16) | 0.02406 (15) | 0.00125 (11) | −0.00645 (11) | −0.00190 (10) |
Cl1 | 0.0489 (3) | 0.0346 (3) | 0.0340 (3) | −0.0022 (2) | −0.0026 (2) | −0.0113 (2) |
O1 | 0.0440 (10) | 0.0291 (8) | 0.0404 (9) | 0.0020 (8) | −0.0105 (7) | 0.0021 (7) |
N1 | 0.0410 (10) | 0.0261 (9) | 0.0258 (9) | 0.0004 (7) | −0.0025 (7) | 0.0051 (7) |
N2 | 0.0305 (9) | 0.0282 (9) | 0.0233 (8) | −0.0016 (7) | −0.0035 (7) | 0.0019 (7) |
N3 | 0.0338 (10) | 0.0344 (10) | 0.0428 (11) | 0.0012 (8) | −0.0075 (8) | −0.0073 (8) |
N4 | 0.0461 (11) | 0.0308 (9) | 0.0230 (8) | 0.0030 (8) | −0.0085 (7) | 0.0009 (7) |
C1 | 0.0402 (12) | 0.0291 (11) | 0.0345 (11) | −0.0009 (9) | −0.0059 (9) | 0.0067 (9) |
C2 | 0.0427 (13) | 0.0391 (13) | 0.0498 (14) | −0.0054 (10) | −0.0062 (11) | 0.0160 (11) |
C3 | 0.0461 (14) | 0.0492 (15) | 0.0605 (17) | −0.0009 (12) | 0.0130 (12) | 0.0206 (13) |
C4 | 0.0585 (16) | 0.0479 (15) | 0.0405 (14) | 0.0031 (12) | 0.0125 (12) | 0.0124 (11) |
C5 | 0.0510 (14) | 0.0341 (12) | 0.0279 (11) | 0.0021 (10) | −0.0002 (10) | 0.0086 (9) |
C6 | 0.0606 (15) | 0.0445 (13) | 0.0221 (10) | 0.0039 (12) | −0.0016 (10) | 0.0041 (9) |
C7 | 0.0353 (11) | 0.0370 (11) | 0.0236 (10) | −0.0031 (9) | −0.0012 (8) | −0.0016 (8) |
C8 | 0.0461 (13) | 0.0455 (13) | 0.0261 (10) | 0.0011 (11) | −0.0039 (9) | 0.0074 (10) |
C9 | 0.0549 (15) | 0.0372 (13) | 0.0393 (13) | 0.0044 (11) | −0.0027 (11) | 0.0119 (10) |
C10 | 0.0581 (15) | 0.0295 (12) | 0.0377 (12) | 0.0040 (11) | −0.0031 (11) | 0.0002 (10) |
C11 | 0.0391 (11) | 0.0296 (11) | 0.0261 (10) | 0.0011 (9) | −0.0040 (8) | −0.0007 (8) |
C12 | 0.0664 (16) | 0.0297 (11) | 0.0263 (11) | 0.0084 (11) | −0.0073 (10) | −0.0015 (9) |
C13 | 0.0378 (13) | 0.0504 (15) | 0.0580 (16) | −0.0021 (11) | −0.0003 (11) | −0.0133 (13) |
C14 | 0.0431 (16) | 0.090 (2) | 0.087 (2) | −0.0149 (16) | 0.0102 (16) | −0.022 (2) |
C15 | 0.0416 (16) | 0.103 (3) | 0.103 (3) | −0.0212 (18) | −0.0038 (17) | −0.029 (2) |
C16 | 0.0526 (17) | 0.085 (2) | 0.080 (2) | −0.0129 (16) | −0.0264 (16) | −0.0253 (19) |
C17 | 0.0425 (13) | 0.0463 (14) | 0.0514 (15) | 0.0013 (11) | −0.0186 (11) | −0.0109 (11) |
C18 | 0.0528 (14) | 0.0462 (14) | 0.0363 (12) | 0.0025 (11) | −0.0204 (11) | −0.0074 (10) |
Cl2 | 0.0482 (3) | 0.0345 (3) | 0.0297 (3) | −0.0005 (2) | −0.0058 (2) | 0.0033 (2) |
O2 | 0.0476 (10) | 0.0636 (12) | 0.0373 (9) | 0.0044 (9) | −0.0052 (8) | 0.0137 (8) |
O3 | 0.0837 (14) | 0.0342 (9) | 0.0455 (10) | −0.0076 (9) | −0.0105 (9) | 0.0079 (8) |
O4 | 0.0532 (12) | 0.0882 (16) | 0.0578 (12) | 0.0258 (11) | 0.0064 (9) | 0.0149 (11) |
O5 | 0.0884 (15) | 0.0494 (11) | 0.0447 (11) | −0.0273 (10) | −0.0015 (10) | −0.0081 (8) |
Cl3 | 0.0486 (4) | 0.0467 (4) | 0.0595 (4) | −0.0054 (3) | −0.0089 (3) | −0.0025 (3) |
O6 | 0.091 (3) | 0.101 (3) | 0.083 (3) | −0.033 (3) | −0.055 (2) | 0.048 (3) |
O7 | 0.176 (5) | 0.0472 (19) | 0.0486 (19) | −0.031 (2) | −0.012 (2) | 0.0030 (16) |
O8 | 0.230 (8) | 0.046 (2) | 0.180 (6) | 0.012 (4) | 0.130 (6) | −0.001 (3) |
O9 | 0.052 (2) | 0.222 (6) | 0.077 (3) | 0.030 (3) | −0.018 (2) | 0.026 (4) |
O6' | 0.052 (4) | 0.098 (6) | 0.088 (5) | −0.027 (4) | 0.023 (3) | −0.024 (4) |
O7' | 0.087 (6) | 0.078 (5) | 0.092 (6) | 0.044 (4) | −0.032 (5) | −0.020 (5) |
O8' | 0.127 (10) | 0.124 (10) | 0.233 (15) | 0.051 (8) | 0.064 (9) | 0.111 (10) |
O9' | 0.158 (11) | 0.160 (13) | 0.236 (15) | 0.018 (8) | −0.134 (11) | −0.144 (11) |
O1W | 0.0770 (18) | 0.119 (3) | 0.111 (2) | 0.0354 (18) | 0.0010 (17) | 0.000 (2) |
Co1—N2 | 1.9232 (17) | C8—C9 | 1.382 (4) |
Co1—N1 | 1.9260 (19) | C9—C10 | 1.376 (3) |
Co1—O1 | 1.9298 (16) | C10—C11 | 1.385 (3) |
Co1—N3 | 1.9357 (19) | C11—C12 | 1.486 (3) |
Co1—N4 | 1.9510 (18) | C13—C14 | 1.380 (4) |
Co1—Cl1 | 2.2207 (7) | C14—C15 | 1.372 (5) |
N1—C1 | 1.341 (3) | C15—C16 | 1.382 (5) |
N1—C5 | 1.353 (3) | C16—C17 | 1.379 (4) |
N2—C11 | 1.343 (3) | C17—C18 | 1.491 (4) |
N2—C7 | 1.350 (2) | Cl2—O4 | 1.4272 (19) |
N3—C13 | 1.339 (3) | Cl2—O2 | 1.4307 (17) |
N3—C17 | 1.357 (3) | Cl2—O3 | 1.4342 (18) |
N4—C18 | 1.494 (3) | Cl2—O5 | 1.4466 (19) |
N4—C12 | 1.495 (3) | Cl3—O7' | 1.326 (7) |
N4—C6 | 1.496 (3) | Cl3—O8 | 1.361 (5) |
C1—C2 | 1.376 (3) | Cl3—O9' | 1.374 (10) |
C2—C3 | 1.378 (4) | Cl3—O9 | 1.401 (4) |
C3—C4 | 1.383 (4) | Cl3—O6 | 1.405 (4) |
C4—C5 | 1.379 (4) | Cl3—O6' | 1.429 (6) |
C5—C6 | 1.500 (3) | Cl3—O7 | 1.444 (4) |
C7—C8 | 1.378 (3) | Cl3—O8' | 1.501 (11) |
N2—Co1—N1 | 90.59 (7) | C10—C11—C12 | 121.0 (2) |
N2—Co1—O1 | 175.31 (7) | C11—C12—N4 | 112.04 (17) |
N1—Co1—O1 | 87.96 (8) | N3—C13—C14 | 121.2 (3) |
N2—Co1—N3 | 88.93 (8) | C15—C14—C13 | 119.5 (3) |
N1—Co1—N3 | 168.62 (8) | C14—C15—C16 | 119.3 (3) |
O1—Co1—N3 | 91.61 (8) | C17—C16—C15 | 119.5 (3) |
N2—Co1—N4 | 87.07 (7) | N3—C17—C16 | 120.5 (3) |
N1—Co1—N4 | 84.39 (8) | N3—C17—C18 | 114.2 (2) |
O1—Co1—N4 | 88.35 (7) | C16—C17—C18 | 125.3 (3) |
N3—Co1—N4 | 84.23 (8) | C17—C18—N4 | 107.25 (19) |
N2—Co1—Cl1 | 94.82 (5) | O4—Cl2—O2 | 109.67 (11) |
N1—Co1—Cl1 | 96.35 (6) | O4—Cl2—O3 | 111.28 (13) |
O1—Co1—Cl1 | 89.78 (5) | O2—Cl2—O3 | 110.17 (12) |
N3—Co1—Cl1 | 95.02 (6) | O4—Cl2—O5 | 109.48 (14) |
N4—Co1—Cl1 | 177.96 (6) | O2—Cl2—O5 | 108.61 (13) |
C1—N1—C5 | 119.6 (2) | O3—Cl2—O5 | 107.57 (11) |
C1—N1—Co1 | 126.68 (15) | O7'—Cl3—O8 | 149.3 (5) |
C5—N1—Co1 | 113.69 (15) | O7'—Cl3—O9' | 116.6 (6) |
C11—N2—C7 | 119.20 (18) | O8—Cl3—O9' | 33.1 (6) |
C11—N2—Co1 | 113.67 (13) | O7'—Cl3—O9 | 53.1 (4) |
C7—N2—Co1 | 127.11 (15) | O8—Cl3—O9 | 109.3 (4) |
C13—N3—C17 | 120.0 (2) | O9'—Cl3—O9 | 82.0 (6) |
C13—N3—Co1 | 126.71 (16) | O7'—Cl3—O6 | 96.6 (4) |
C17—N3—Co1 | 113.07 (17) | O8—Cl3—O6 | 113.5 (4) |
C18—N4—C12 | 110.49 (19) | O9'—Cl3—O6 | 141.9 (7) |
C18—N4—C6 | 112.33 (18) | O9—Cl3—O6 | 106.3 (3) |
C12—N4—C6 | 110.93 (19) | O7'—Cl3—O6' | 116.2 (6) |
C18—N4—Co1 | 106.08 (14) | O8—Cl3—O6' | 79.0 (4) |
C12—N4—Co1 | 109.77 (13) | O9'—Cl3—O6' | 103.2 (7) |
C6—N4—Co1 | 107.04 (13) | O9—Cl3—O6' | 169.1 (4) |
N1—C1—C2 | 121.4 (2) | O6—Cl3—O6' | 75.6 (4) |
C1—C2—C3 | 119.3 (2) | O7'—Cl3—O7 | 64.6 (5) |
C2—C3—C4 | 119.4 (2) | O8—Cl3—O7 | 108.1 (3) |
C5—C4—C3 | 118.9 (2) | O9'—Cl3—O7 | 101.5 (8) |
N1—C5—C4 | 121.3 (2) | O9—Cl3—O7 | 109.9 (3) |
N1—C5—C6 | 114.7 (2) | O6—Cl3—O7 | 109.8 (2) |
C4—C5—C6 | 124.0 (2) | O6'—Cl3—O7 | 59.9 (4) |
N4—C6—C5 | 107.67 (17) | O7'—Cl3—O8' | 112.6 (7) |
N2—C7—C8 | 121.1 (2) | O8—Cl3—O8' | 89.6 (6) |
C7—C8—C9 | 119.7 (2) | O9'—Cl3—O8' | 107.9 (10) |
C10—C9—C8 | 119.2 (2) | O9—Cl3—O8' | 89.0 (5) |
C9—C10—C11 | 118.8 (2) | O6—Cl3—O8' | 37.5 (7) |
N2—C11—C10 | 121.9 (2) | O6'—Cl3—O8' | 98.4 (6) |
N2—C11—C12 | 117.00 (18) | O7—Cl3—O8' | 147.1 (7) |
N2—Co1—N1—C1 | −75.13 (18) | C2—C3—C4—C5 | −0.5 (4) |
O1—Co1—N1—C1 | 109.33 (18) | C1—N1—C5—C4 | −0.9 (3) |
N3—Co1—N1—C1 | −162.6 (4) | Co1—N1—C5—C4 | −178.26 (18) |
N4—Co1—N1—C1 | −162.13 (18) | C1—N1—C5—C6 | −178.88 (19) |
Cl1—Co1—N1—C1 | 19.79 (18) | Co1—N1—C5—C6 | 3.7 (2) |
N2—Co1—N1—C5 | 102.04 (15) | C3—C4—C5—N1 | 0.9 (4) |
O1—Co1—N1—C5 | −73.50 (15) | C3—C4—C5—C6 | 178.8 (2) |
N3—Co1—N1—C5 | 14.5 (5) | C18—N4—C6—C5 | 153.12 (19) |
N4—Co1—N1—C5 | 15.04 (15) | C12—N4—C6—C5 | −82.7 (2) |
Cl1—Co1—N1—C5 | −163.05 (14) | Co1—N4—C6—C5 | 37.1 (2) |
N1—Co1—N2—C11 | −88.70 (15) | N1—C5—C6—N4 | −27.4 (3) |
N3—Co1—N2—C11 | 79.94 (15) | C4—C5—C6—N4 | 154.7 (2) |
N4—Co1—N2—C11 | −4.35 (15) | C11—N2—C7—C8 | −1.4 (3) |
Cl1—Co1—N2—C11 | 174.89 (14) | Co1—N2—C7—C8 | 177.08 (16) |
N1—Co1—N2—C7 | 92.76 (17) | N2—C7—C8—C9 | −0.6 (3) |
N3—Co1—N2—C7 | −98.61 (17) | C7—C8—C9—C10 | 0.9 (4) |
N4—Co1—N2—C7 | 177.11 (17) | C8—C9—C10—C11 | 0.6 (4) |
Cl1—Co1—N2—C7 | −3.66 (17) | C7—N2—C11—C10 | 3.1 (3) |
N2—Co1—N3—C13 | 73.8 (2) | Co1—N2—C11—C10 | −175.60 (18) |
N1—Co1—N3—C13 | 161.5 (3) | C7—N2—C11—C12 | −173.92 (19) |
O1—Co1—N3—C13 | −110.9 (2) | Co1—N2—C11—C12 | 7.4 (3) |
N4—Co1—N3—C13 | 161.0 (2) | C9—C10—C11—N2 | −2.7 (4) |
Cl1—Co1—N3—C13 | −20.9 (2) | C9—C10—C11—C12 | 174.2 (2) |
N2—Co1—N3—C17 | −100.69 (18) | N2—C11—C12—N4 | −7.0 (3) |
N1—Co1—N3—C17 | −13.0 (5) | C10—C11—C12—N4 | 175.9 (2) |
O1—Co1—N3—C17 | 74.65 (18) | C18—N4—C12—C11 | −113.5 (2) |
N4—Co1—N3—C17 | −13.53 (18) | C6—N4—C12—C11 | 121.3 (2) |
Cl1—Co1—N3—C17 | 164.57 (17) | Co1—N4—C12—C11 | 3.2 (2) |
N2—Co1—N4—C18 | 119.78 (15) | C17—N3—C13—C14 | 0.8 (4) |
N1—Co1—N4—C18 | −149.34 (15) | Co1—N3—C13—C14 | −173.3 (2) |
O1—Co1—N4—C18 | −61.23 (15) | N3—C13—C14—C15 | 0.2 (5) |
N3—Co1—N4—C18 | 30.56 (15) | C13—C14—C15—C16 | 0.0 (6) |
N2—Co1—N4—C12 | 0.39 (16) | C14—C15—C16—C17 | −1.0 (6) |
N1—Co1—N4—C12 | 91.27 (16) | C13—N3—C17—C16 | −1.9 (4) |
O1—Co1—N4—C12 | 179.39 (16) | Co1—N3—C17—C16 | 173.0 (2) |
N3—Co1—N4—C12 | −88.83 (16) | C13—N3—C17—C18 | 177.1 (2) |
N2—Co1—N4—C6 | −120.09 (14) | Co1—N3—C17—C18 | −8.0 (3) |
N1—Co1—N4—C6 | −29.21 (14) | C15—C16—C17—N3 | 2.0 (5) |
O1—Co1—N4—C6 | 58.90 (15) | C15—C16—C17—C18 | −176.9 (3) |
N3—Co1—N4—C6 | 150.69 (15) | N3—C17—C18—N4 | 32.8 (3) |
C5—N1—C1—C2 | 0.4 (3) | C16—C17—C18—N4 | −148.2 (3) |
Co1—N1—C1—C2 | 177.44 (16) | C12—N4—C18—C17 | 77.9 (2) |
N1—C1—C2—C3 | 0.0 (3) | C6—N4—C18—C17 | −157.66 (19) |
C1—C2—C3—C4 | 0.1 (4) | Co1—N4—C18—C17 | −41.0 (2) |
D—H···A | D—H | H···A | D···A | D—H···A |
O1—H10A···O5 | 0.82 (3) | 1.88 (3) | 2.699 (3) | 177 (3) |
O1—H10B···O1W | 1.02 (3) | 1.61 (3) | 2.587 (3) | 159 (3) |