Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806040554/cv2130sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806040554/cv2130Isup2.hkl |
CCDC reference: 627472
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.012 Å
- R factor = 0.078
- wR factor = 0.195
- Data-to-parameter ratio = 17.2
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.95 Ratio PLAT222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 4.64 Ratio PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C11
Alert level C PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 47 Perc. PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT213_ALERT_2_C Atom C12 has ADP max/min Ratio ............. 3.40 prola PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C2 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C6 PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 12 PLAT413_ALERT_2_C Short Inter XH3 .. XHn H12A .. H17C .. 2.14 Ang.
Alert level G PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K
0 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
Data collection: CAD-4 Software (Enraf-Nonius, 1989); cell refinement: CAD-4 Software; data reduction: NRCVAX (Gabe et al., 1989); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL-PC (Sheldrick, 1990); software used to prepare material for publication: WinGX (Farrugia, 1999).
[Co(C5H8N2)4(NCS)2] | F(000) = 2344 |
Mr = 559.65 | Dx = 1.316 Mg m−3 |
Orthorhombic, Pbca | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ac 2ab | Cell parameters from 25 reflections |
a = 16.096 (3) Å | θ = 4–14° |
b = 17.769 (4) Å | µ = 0.79 mm−1 |
c = 19.759 (4) Å | T = 293 K |
V = 5651 (2) Å3 | Block, pink |
Z = 8 | 0.30 × 0.20 × 0.10 mm |
Enraf-Nonius CAD-4 diffractometer | 2610 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.020 |
Graphite monochromator | θmax = 26.0°, θmin = 2.0° |
ω scans | h = 0→19 |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | k = 0→21 |
Tmin = 0.828, Tmax = 0.924 | l = 0→24 |
5632 measured reflections | 3 standard reflections every 100 reflections |
5531 independent reflections | intensity decay: none |
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)] = 0.078 | H-atom parameters constrained |
wR(F2) = 0.195 | w = 1/[σ2(Fo2) + (0.0702P)2] where P = (Fo2 + 2Fc2)/3 |
S = 1.01 | (Δ/σ)max < 0.001 |
5531 reflections | Δρmax = 0.62 e Å−3 |
321 parameters | Δρmin = −0.42 e Å−3 |
0 restraints | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.0016 (2) |
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 | ||
Co | 0.27705 (5) | 0.21299 (4) | 0.70427 (4) | 0.0383 (3) | |
S1 | 0.12621 (14) | 0.40480 (12) | 0.57623 (11) | 0.0757 (7) | |
S2 | 0.35929 (14) | −0.01063 (11) | 0.81766 (12) | 0.0772 (7) | |
N1 | 0.1990 (4) | 0.2989 (3) | 0.6608 (3) | 0.0541 (16) | |
N2 | 0.3527 (3) | 0.1257 (3) | 0.7475 (3) | 0.0477 (14) | |
N3 | 0.2073 (3) | 0.2207 (3) | 0.7966 (3) | 0.0432 (13) | |
N4 | 0.1278 (3) | 0.2638 (3) | 0.8784 (3) | 0.0501 (15) | |
N5 | 0.1928 (3) | 0.1293 (3) | 0.6706 (3) | 0.0428 (13) | |
N6 | 0.1382 (4) | 0.0236 (3) | 0.6306 (3) | 0.0523 (15) | |
N7 | 0.3455 (3) | 0.2003 (3) | 0.6119 (3) | 0.0413 (13) | |
N8 | 0.3742 (4) | 0.2054 (3) | 0.5029 (3) | 0.0538 (15) | |
N9 | 0.3601 (3) | 0.2992 (3) | 0.7380 (3) | 0.0397 (13) | |
N10 | 0.4081 (4) | 0.4061 (3) | 0.7775 (3) | 0.0523 (15) | |
C1 | 0.1679 (4) | 0.3423 (4) | 0.6257 (3) | 0.0455 (17) | |
C2 | 0.3565 (4) | 0.0683 (4) | 0.7751 (3) | 0.0430 (16) | |
C3 | 0.1629 (4) | 0.2768 (4) | 0.8187 (3) | 0.0456 (17) | |
H3A | 0.1563 | 0.3216 | 0.7950 | 0.055* | |
C4 | 0.1518 (5) | 0.1916 (4) | 0.8978 (4) | 0.059 (2) | |
H4A | 0.1375 | 0.1663 | 0.9373 | 0.070* | |
C5 | 0.2004 (4) | 0.1663 (4) | 0.8467 (3) | 0.0523 (19) | |
H5A | 0.2256 | 0.1193 | 0.8453 | 0.063* | |
C6 | 0.0783 (5) | 0.3155 (4) | 0.9194 (4) | 0.067 (2) | |
H6A | 0.0278 | 0.2902 | 0.9334 | 0.080* | |
H6B | 0.0626 | 0.3583 | 0.8918 | 0.080* | |
C7 | 0.1228 (7) | 0.3430 (5) | 0.9806 (5) | 0.118 (4) | |
H7A | 0.0885 | 0.3786 | 1.0041 | 0.178* | |
H7B | 0.1738 | 0.3668 | 0.9672 | 0.178* | |
H7C | 0.1348 | 0.3013 | 1.0099 | 0.178* | |
C8 | 0.2081 (4) | 0.0611 (4) | 0.6461 (3) | 0.0490 (18) | |
H8A | 0.2613 | 0.0415 | 0.6403 | 0.059* | |
C9 | 0.0746 (4) | 0.0685 (4) | 0.6460 (4) | 0.056 (2) | |
H9A | 0.0184 | 0.0578 | 0.6412 | 0.067* | |
C10 | 0.1085 (4) | 0.1333 (4) | 0.6703 (3) | 0.0510 (18) | |
H10A | 0.0780 | 0.1748 | 0.6847 | 0.061* | |
C11 | 0.1343 (6) | −0.0532 (4) | 0.6009 (5) | 0.080 (3) | |
H11A | 0.1853 | −0.0798 | 0.6117 | 0.096* | |
H11B | 0.0886 | −0.0805 | 0.6214 | 0.096* | |
C12 | 0.1234 (9) | −0.0524 (5) | 0.5288 (5) | 0.170 (7) | |
H12A | 0.1103 | −0.1022 | 0.5134 | 0.255* | |
H12B | 0.1737 | −0.0355 | 0.5076 | 0.255* | |
H12C | 0.0787 | −0.0189 | 0.5173 | 0.255* | |
C13 | 0.3268 (4) | 0.2307 (4) | 0.5529 (3) | 0.0506 (19) | |
H13A | 0.2848 | 0.2661 | 0.5469 | 0.061* | |
C14 | 0.4281 (5) | 0.1563 (4) | 0.5311 (4) | 0.061 (2) | |
H14A | 0.4700 | 0.1298 | 0.5090 | 0.074* | |
C15 | 0.4093 (5) | 0.1532 (4) | 0.5976 (4) | 0.063 (2) | |
H15A | 0.4362 | 0.1231 | 0.6291 | 0.075* | |
C16 | 0.3671 (6) | 0.2276 (5) | 0.4307 (4) | 0.081 (3) | |
H16A | 0.3683 | 0.1827 | 0.4028 | 0.097* | |
H16B | 0.3140 | 0.2521 | 0.4237 | 0.097* | |
C17 | 0.4336 (7) | 0.2784 (5) | 0.4088 (4) | 0.111 (4) | |
H17A | 0.4244 | 0.2929 | 0.3627 | 0.166* | |
H17B | 0.4861 | 0.2531 | 0.4125 | 0.166* | |
H17C | 0.4339 | 0.3223 | 0.4370 | 0.166* | |
C18 | 0.3402 (4) | 0.3679 (4) | 0.7597 (3) | 0.0515 (18) | |
H18A | 0.2864 | 0.3866 | 0.7621 | 0.062* | |
C19 | 0.4756 (5) | 0.3609 (4) | 0.7685 (4) | 0.061 (2) | |
H19A | 0.5308 | 0.3719 | 0.7782 | 0.073* | |
C20 | 0.4442 (4) | 0.2964 (4) | 0.7423 (3) | 0.0506 (18) | |
H20A | 0.4763 | 0.2555 | 0.7290 | 0.061* | |
C21 | 0.4093 (6) | 0.4836 (4) | 0.8068 (4) | 0.077 (3) | |
H21A | 0.4605 | 0.5084 | 0.7935 | 0.092* | |
H21B | 0.3635 | 0.5123 | 0.7880 | 0.092* | |
C22 | 0.4029 (6) | 0.4843 (4) | 0.8811 (4) | 0.096 (3) | |
H22A | 0.4063 | 0.5352 | 0.8972 | 0.144* | |
H22B | 0.4476 | 0.4554 | 0.9001 | 0.144* | |
H22C | 0.3508 | 0.4628 | 0.8945 | 0.144* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Co | 0.0474 (5) | 0.0302 (4) | 0.0373 (5) | 0.0014 (4) | 0.0037 (4) | 0.0015 (4) |
S1 | 0.0902 (16) | 0.0679 (14) | 0.0691 (14) | 0.0140 (13) | −0.0206 (13) | 0.0183 (11) |
S2 | 0.0860 (16) | 0.0388 (11) | 0.1067 (18) | −0.0030 (11) | −0.0113 (14) | 0.0265 (11) |
N1 | 0.067 (4) | 0.049 (4) | 0.046 (3) | 0.003 (3) | 0.000 (3) | 0.009 (3) |
N2 | 0.056 (4) | 0.041 (3) | 0.046 (3) | 0.002 (3) | −0.001 (3) | 0.009 (3) |
N3 | 0.053 (3) | 0.030 (3) | 0.046 (3) | 0.005 (3) | 0.012 (3) | −0.003 (3) |
N4 | 0.064 (4) | 0.039 (3) | 0.048 (3) | 0.001 (3) | 0.013 (3) | −0.003 (3) |
N5 | 0.042 (3) | 0.044 (3) | 0.043 (3) | −0.008 (3) | −0.003 (3) | −0.007 (3) |
N6 | 0.056 (4) | 0.040 (3) | 0.061 (4) | −0.010 (3) | −0.008 (3) | −0.006 (3) |
N7 | 0.044 (3) | 0.039 (3) | 0.042 (3) | 0.007 (3) | 0.004 (3) | −0.002 (3) |
N8 | 0.069 (4) | 0.057 (4) | 0.036 (3) | −0.002 (3) | 0.003 (3) | −0.005 (3) |
N9 | 0.044 (3) | 0.032 (3) | 0.043 (3) | 0.001 (3) | 0.002 (3) | 0.003 (3) |
N10 | 0.069 (4) | 0.038 (3) | 0.051 (4) | −0.010 (3) | −0.006 (3) | 0.001 (3) |
C1 | 0.060 (5) | 0.041 (4) | 0.035 (4) | −0.007 (4) | 0.000 (4) | −0.003 (3) |
C2 | 0.048 (4) | 0.033 (3) | 0.048 (4) | 0.001 (3) | −0.008 (3) | −0.002 (3) |
C3 | 0.055 (4) | 0.037 (4) | 0.046 (4) | −0.009 (3) | 0.011 (3) | 0.002 (3) |
C4 | 0.090 (6) | 0.031 (4) | 0.055 (5) | 0.002 (4) | 0.025 (4) | 0.010 (3) |
C5 | 0.067 (5) | 0.029 (4) | 0.061 (5) | 0.004 (3) | 0.019 (4) | 0.003 (3) |
C6 | 0.082 (6) | 0.050 (5) | 0.067 (5) | 0.016 (4) | 0.031 (5) | −0.004 (4) |
C7 | 0.167 (10) | 0.097 (8) | 0.092 (7) | 0.017 (7) | 0.028 (7) | −0.050 (6) |
C8 | 0.052 (5) | 0.047 (4) | 0.048 (4) | 0.004 (4) | −0.003 (4) | 0.000 (3) |
C9 | 0.040 (4) | 0.064 (5) | 0.065 (5) | −0.008 (4) | −0.005 (4) | 0.011 (4) |
C10 | 0.047 (4) | 0.048 (4) | 0.058 (5) | 0.001 (4) | 0.000 (4) | −0.002 (4) |
C11 | 0.099 (7) | 0.038 (4) | 0.104 (7) | −0.005 (5) | −0.027 (6) | −0.002 (5) |
C12 | 0.348 (19) | 0.058 (6) | 0.105 (8) | 0.025 (9) | −0.115 (11) | −0.033 (6) |
C13 | 0.053 (4) | 0.054 (5) | 0.044 (4) | 0.007 (4) | 0.005 (4) | 0.000 (4) |
C14 | 0.066 (5) | 0.071 (5) | 0.047 (5) | 0.015 (4) | 0.009 (4) | −0.007 (4) |
C15 | 0.068 (5) | 0.058 (5) | 0.062 (5) | 0.017 (4) | 0.006 (4) | 0.006 (4) |
C16 | 0.107 (7) | 0.099 (7) | 0.037 (4) | −0.009 (6) | −0.004 (5) | −0.004 (5) |
C17 | 0.170 (10) | 0.110 (8) | 0.052 (6) | −0.036 (8) | 0.025 (6) | 0.007 (6) |
C18 | 0.049 (4) | 0.043 (4) | 0.062 (5) | 0.000 (4) | 0.000 (4) | 0.011 (4) |
C19 | 0.058 (5) | 0.053 (5) | 0.072 (6) | −0.014 (4) | −0.013 (4) | −0.003 (4) |
C20 | 0.047 (4) | 0.049 (4) | 0.056 (4) | 0.007 (4) | 0.002 (4) | −0.001 (4) |
C21 | 0.109 (7) | 0.035 (4) | 0.085 (6) | −0.005 (5) | −0.011 (5) | −0.011 (4) |
C22 | 0.165 (10) | 0.047 (5) | 0.077 (6) | 0.025 (6) | −0.033 (7) | −0.018 (5) |
Co—N5 | 2.119 (5) | C6—H6A | 0.9700 |
Co—N9 | 2.140 (5) | C6—H6B | 0.9700 |
Co—N7 | 2.143 (5) | C7—H7A | 0.9600 |
Co—N3 | 2.147 (5) | C7—H7B | 0.9600 |
Co—N2 | 2.148 (5) | C7—H7C | 0.9600 |
Co—N1 | 2.156 (6) | C8—H8A | 0.9300 |
S1—C1 | 1.625 (7) | C9—C10 | 1.362 (9) |
S2—C2 | 1.636 (7) | C9—H9A | 0.9300 |
N1—C1 | 1.152 (7) | C10—H10A | 0.9300 |
N2—C2 | 1.159 (7) | C11—C12 | 1.435 (11) |
N3—C3 | 1.302 (7) | C11—H11A | 0.9700 |
N3—C5 | 1.387 (7) | C11—H11B | 0.9700 |
N4—C3 | 1.328 (8) | C12—H12A | 0.9600 |
N4—C4 | 1.393 (8) | C12—H12B | 0.9600 |
N4—C6 | 1.460 (8) | C12—H12C | 0.9600 |
N5—C8 | 1.329 (8) | C13—H13A | 0.9300 |
N5—C10 | 1.358 (8) | C14—C15 | 1.349 (9) |
N6—C9 | 1.333 (8) | C14—H14A | 0.9300 |
N6—C8 | 1.344 (8) | C15—H15A | 0.9300 |
N6—C11 | 1.486 (8) | C16—C17 | 1.465 (11) |
N7—C13 | 1.319 (8) | C16—H16A | 0.9700 |
N7—C15 | 1.355 (8) | C16—H16B | 0.9700 |
N8—C13 | 1.327 (8) | C17—H17A | 0.9600 |
N8—C14 | 1.351 (8) | C17—H17B | 0.9600 |
N8—C16 | 1.485 (8) | C17—H17C | 0.9600 |
N9—C18 | 1.332 (7) | C18—H18A | 0.9300 |
N9—C20 | 1.357 (7) | C19—C20 | 1.355 (9) |
N10—C18 | 1.334 (8) | C19—H19A | 0.9300 |
N10—C19 | 1.362 (8) | C20—H20A | 0.9300 |
N10—C21 | 1.494 (8) | C21—C22 | 1.472 (10) |
C3—H3A | 0.9300 | C21—H21A | 0.9700 |
C4—C5 | 1.354 (8) | C21—H21B | 0.9700 |
C4—H4A | 0.9300 | C22—H22A | 0.9600 |
C5—H5A | 0.9300 | C22—H22B | 0.9600 |
C6—C7 | 1.487 (11) | C22—H22C | 0.9600 |
N5—Co—N9 | 178.8 (2) | N5—C8—N6 | 112.3 (6) |
N5—Co—N7 | 89.33 (19) | N5—C8—H8A | 123.9 |
N9—Co—N7 | 91.10 (19) | N6—C8—H8A | 123.9 |
N5—Co—N3 | 88.66 (19) | N6—C9—C10 | 106.3 (6) |
N9—Co—N3 | 90.94 (19) | N6—C9—H9A | 126.9 |
N7—Co—N3 | 177.59 (19) | C10—C9—H9A | 126.9 |
N5—Co—N2 | 88.9 (2) | N5—C10—C9 | 111.0 (6) |
N9—Co—N2 | 92.23 (19) | N5—C10—H10A | 124.5 |
N7—Co—N2 | 88.4 (2) | C9—C10—H10A | 124.5 |
N3—Co—N2 | 90.3 (2) | C12—C11—N6 | 112.7 (7) |
N5—Co—N1 | 89.9 (2) | C12—C11—H11A | 109.0 |
N9—Co—N1 | 88.9 (2) | N6—C11—H11A | 109.0 |
N7—Co—N1 | 92.0 (2) | C12—C11—H11B | 109.0 |
N3—Co—N1 | 89.3 (2) | N6—C11—H11B | 109.0 |
N2—Co—N1 | 178.8 (2) | H11A—C11—H11B | 107.8 |
C1—N1—Co | 165.4 (6) | C11—C12—H12A | 109.5 |
C2—N2—Co | 148.5 (5) | C11—C12—H12B | 109.5 |
C3—N3—C5 | 104.5 (5) | H12A—C12—H12B | 109.5 |
C3—N3—Co | 128.4 (4) | C11—C12—H12C | 109.5 |
C5—N3—Co | 127.1 (4) | H12A—C12—H12C | 109.5 |
C3—N4—C4 | 106.6 (6) | H12B—C12—H12C | 109.5 |
C3—N4—C6 | 128.0 (6) | N7—C13—N8 | 112.8 (6) |
C4—N4—C6 | 125.3 (6) | N7—C13—H13A | 123.6 |
C8—N5—C10 | 103.4 (6) | N8—C13—H13A | 123.6 |
C8—N5—Co | 129.4 (5) | C15—C14—N8 | 106.4 (7) |
C10—N5—Co | 127.2 (5) | C15—C14—H14A | 126.8 |
C9—N6—C8 | 107.1 (6) | N8—C14—H14A | 126.8 |
C9—N6—C11 | 127.5 (6) | C14—C15—N7 | 110.5 (7) |
C8—N6—C11 | 125.4 (7) | C14—C15—H15A | 124.8 |
C13—N7—C15 | 103.9 (6) | N7—C15—H15A | 124.8 |
C13—N7—Co | 126.3 (4) | C17—C16—N8 | 113.0 (7) |
C15—N7—Co | 129.2 (5) | C17—C16—H16A | 109.0 |
C13—N8—C14 | 106.4 (6) | N8—C16—H16A | 109.0 |
C13—N8—C16 | 125.5 (7) | C17—C16—H16B | 109.0 |
C14—N8—C16 | 128.1 (6) | N8—C16—H16B | 109.0 |
C18—N9—C20 | 104.6 (6) | H16A—C16—H16B | 107.8 |
C18—N9—Co | 127.3 (5) | C16—C17—H17A | 109.5 |
C20—N9—Co | 128.1 (4) | C16—C17—H17B | 109.5 |
C18—N10—C19 | 108.5 (6) | H17A—C17—H17B | 109.5 |
C18—N10—C21 | 125.6 (7) | C16—C17—H17C | 109.5 |
C19—N10—C21 | 125.7 (6) | H17A—C17—H17C | 109.5 |
N1—C1—S1 | 178.5 (7) | H17B—C17—H17C | 109.5 |
N2—C2—S2 | 176.8 (6) | N9—C18—N10 | 110.8 (6) |
N3—C3—N4 | 113.5 (6) | N9—C18—H18A | 124.6 |
N3—C3—H3A | 123.3 | N10—C18—H18A | 124.6 |
N4—C3—H3A | 123.3 | C20—C19—N10 | 104.6 (6) |
C5—C4—N4 | 105.1 (6) | C20—C19—H19A | 127.7 |
C5—C4—H4A | 127.4 | N10—C19—H19A | 127.7 |
N4—C4—H4A | 127.4 | C19—C20—N9 | 111.4 (6) |
C4—C5—N3 | 110.3 (6) | C19—C20—H20A | 124.3 |
C4—C5—H5A | 124.9 | N9—C20—H20A | 124.3 |
N3—C5—H5A | 124.9 | C22—C21—N10 | 113.2 (6) |
N4—C6—C7 | 113.3 (7) | C22—C21—H21A | 108.9 |
N4—C6—H6A | 108.9 | N10—C21—H21A | 108.9 |
C7—C6—H6A | 108.9 | C22—C21—H21B | 108.9 |
N4—C6—H6B | 108.9 | N10—C21—H21B | 108.9 |
C7—C6—H6B | 108.9 | H21A—C21—H21B | 107.8 |
H6A—C6—H6B | 107.7 | C21—C22—H22A | 109.5 |
C6—C7—H7A | 109.5 | C21—C22—H22B | 109.5 |
C6—C7—H7B | 109.5 | H22A—C22—H22B | 109.5 |
H7A—C7—H7B | 109.5 | C21—C22—H22C | 109.5 |
C6—C7—H7C | 109.5 | H22A—C22—H22C | 109.5 |
H7A—C7—H7C | 109.5 | H22B—C22—H22C | 109.5 |
H7B—C7—H7C | 109.5 | ||
N5—Co—N1—C1 | −91 (2) | C4—N4—C3—N3 | 0.2 (8) |
N9—Co—N1—C1 | 90 (2) | C6—N4—C3—N3 | 176.1 (7) |
N7—Co—N1—C1 | −1 (2) | C3—N4—C4—C5 | −0.2 (8) |
N3—Co—N1—C1 | −179 (2) | C6—N4—C4—C5 | −176.3 (7) |
N5—Co—N2—C2 | −36.5 (10) | N4—C4—C5—N3 | 0.2 (8) |
N9—Co—N2—C2 | 143.1 (10) | C3—N3—C5—C4 | −0.1 (8) |
N7—Co—N2—C2 | −125.8 (10) | Co—N3—C5—C4 | 179.4 (5) |
N3—Co—N2—C2 | 52.2 (10) | C3—N4—C6—C7 | −107.4 (9) |
N5—Co—N3—C3 | −112.9 (6) | C4—N4—C6—C7 | 67.9 (10) |
N9—Co—N3—C3 | 66.0 (6) | C10—N5—C8—N6 | 0.3 (7) |
N2—Co—N3—C3 | 158.2 (6) | Co—N5—C8—N6 | 179.4 (4) |
N1—Co—N3—C3 | −22.9 (6) | C9—N6—C8—N5 | −0.6 (8) |
N5—Co—N3—C5 | 67.8 (5) | C11—N6—C8—N5 | 178.7 (6) |
N9—Co—N3—C5 | −113.4 (5) | C8—N6—C9—C10 | 0.5 (8) |
N2—Co—N3—C5 | −21.2 (5) | C11—N6—C9—C10 | −178.7 (7) |
N1—Co—N3—C5 | 157.7 (5) | C8—N5—C10—C9 | 0.0 (8) |
N7—Co—N5—C8 | 50.2 (6) | Co—N5—C10—C9 | −179.1 (4) |
N3—Co—N5—C8 | −128.5 (6) | N6—C9—C10—N5 | −0.4 (8) |
N2—Co—N5—C8 | −38.2 (6) | C9—N6—C11—C12 | 81.5 (11) |
N1—Co—N5—C8 | 142.2 (6) | C8—N6—C11—C12 | −97.7 (10) |
N7—Co—N5—C10 | −130.9 (6) | C15—N7—C13—N8 | 0.4 (8) |
N3—Co—N5—C10 | 50.4 (6) | Co—N7—C13—N8 | −171.9 (4) |
N2—Co—N5—C10 | 140.7 (6) | C14—N8—C13—N7 | −0.9 (8) |
N1—Co—N5—C10 | −38.9 (6) | C16—N8—C13—N7 | 178.6 (6) |
N5—Co—N7—C13 | 80.8 (6) | C13—N8—C14—C15 | 1.1 (8) |
N9—Co—N7—C13 | −98.1 (6) | C16—N8—C14—C15 | −178.4 (7) |
N2—Co—N7—C13 | 169.7 (6) | N8—C14—C15—N7 | −1.0 (9) |
N1—Co—N7—C13 | −9.1 (6) | C13—N7—C15—C14 | 0.4 (8) |
N5—Co—N7—C15 | −89.6 (6) | Co—N7—C15—C14 | 172.4 (5) |
N9—Co—N7—C15 | 91.6 (6) | C13—N8—C16—C17 | 105.9 (9) |
N2—Co—N7—C15 | −0.6 (6) | C14—N8—C16—C17 | −74.7 (10) |
N1—Co—N7—C15 | −179.5 (6) | C20—N9—C18—N10 | −0.7 (7) |
N7—Co—N9—C18 | 127.3 (5) | Co—N9—C18—N10 | 179.2 (4) |
N3—Co—N9—C18 | −54.0 (5) | C19—N10—C18—N9 | −1.2 (8) |
N2—Co—N9—C18 | −144.3 (5) | C21—N10—C18—N9 | −177.2 (6) |
N1—Co—N9—C18 | 35.3 (5) | C18—N10—C19—C20 | 2.4 (8) |
N7—Co—N9—C20 | −52.9 (5) | C21—N10—C19—C20 | 178.5 (6) |
N3—Co—N9—C20 | 125.8 (5) | N10—C19—C20—N9 | −2.9 (8) |
N2—Co—N9—C20 | 35.5 (6) | C18—N9—C20—C19 | 2.3 (8) |
N1—Co—N9—C20 | −144.9 (6) | Co—N9—C20—C19 | −177.6 (5) |
C5—N3—C3—N4 | 0.0 (7) | C18—N10—C21—C22 | 88.5 (9) |
Co—N3—C3—N4 | −179.5 (4) | C19—N10—C21—C22 | −86.9 (10) |