Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680603652X/bv2033sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S160053680603652X/bv2033Isup2.hkl |
CCDC reference: 624013
Key indicators
- Single-crystal X-ray study
- T = 298 K
- Mean (C-C) = 0.006 Å
- Disorder in solvent or counterion
- R factor = 0.048
- wR factor = 0.126
- Data-to-parameter ratio = 17.3
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT432_ALERT_2_B Short Inter X...Y Contact O2 .. C14 .. 2.86 Ang.
Alert level C PLAT243_ALERT_4_C High 'Solvent' Ueq as Compared to Neighbors for O1 PLAT243_ALERT_4_C High 'Solvent' Ueq as Compared to Neighbors for O2 PLAT243_ALERT_4_C High 'Solvent' Ueq as Compared to Neighbors for O3B PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for O2B PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for O3 PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 38.00 Perc. PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 21 N5 -CO1 -N2 -C6 -12.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 26 N5 -CO1 -N2 -N3 169.00 2.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 43 N2 -CO1 -N5 -C14 104.00 2.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 48 N2 -CO1 -N5 -N6 -70.00 2.00 1.555 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 26.40 Deg. O3 -CL1 -O3B 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 25.40 Deg. O2 -CL1 -O2B 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 40.20 Deg. O1 -CL1 -O1A 1.555 1.555 1.555
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 13 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 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 10 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXTL.
[Co(C8H8N3S2)2]ClO4 | F(000) = 1176 |
Mr = 578.97 | Dx = 1.683 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 2785 reflections |
a = 10.783 (2) Å | θ = 2.1–25.2° |
b = 12.049 (2) Å | µ = 1.27 mm−1 |
c = 17.613 (3) Å | T = 298 K |
β = 93.249 (4)° | Block, brown |
V = 2284.8 (7) Å3 | 0.26 × 0.22 × 0.20 mm |
Z = 4 |
Bruker SMART 1K CCD area-detector diffractometer | 4990 independent reflections |
Radiation source: fine-focus sealed tube | 3204 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.034 |
ω scans | θmax = 27.1°, θmin = 1.9° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −13→13 |
Tmin = 0.734, Tmax = 0.785 | k = −15→12 |
12549 measured reflections | l = −21→22 |
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)] = 0.048 | H-atom parameters constrained |
wR(F2) = 0.126 | w = 1/[σ2(Fo2) + (0.0535P)2 + 2.4373P] where P = (Fo2 + 2Fc2)/3 |
S = 1.04 | (Δ/σ)max = 0.005 |
4990 reflections | Δρmax = 0.67 e Å−3 |
289 parameters | Δρmin = −0.45 e Å−3 |
0 restraints | Extinction correction: SHELXL97 (Sheldrick, 1997), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.0000 |
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 | 0.63336 (4) | 0.87074 (4) | 0.82283 (3) | 0.02961 (16) | |
Cl1 | 0.89033 (10) | 0.09344 (11) | 0.62746 (8) | 0.0627 (4) | |
S1 | 0.57554 (9) | 0.98159 (8) | 0.72502 (6) | 0.0372 (2) | |
S2 | 0.33398 (11) | 0.97852 (10) | 0.63991 (7) | 0.0517 (3) | |
S3 | 0.59795 (9) | 1.00454 (9) | 0.90631 (6) | 0.0426 (3) | |
S4 | 0.77824 (12) | 1.14464 (12) | 0.98720 (8) | 0.0654 (4) | |
O1 | 0.8689 (8) | 0.1986 (8) | 0.6643 (5) | 0.097 (3)* | 0.50 |
O2 | 0.8916 (9) | 0.0062 (9) | 0.6717 (6) | 0.095 (3)* | 0.50 |
O3 | 1.0086 (6) | 0.1363 (6) | 0.6221 (4) | 0.0540 (18)* | 0.50 |
O4 | 0.7994 (3) | 0.1001 (3) | 0.5671 (2) | 0.0826 (12) | |
O1A | 0.8401 (7) | 0.1386 (7) | 0.7003 (4) | 0.076 (2)* | 0.50 |
O2B | 0.8973 (6) | −0.0300 (6) | 0.6444 (4) | 0.0516 (18)* | 0.50 |
O3B | 1.0084 (8) | 0.1076 (7) | 0.5903 (5) | 0.081 (3)* | 0.50 |
N1 | 0.6451 (3) | 0.7643 (3) | 0.90760 (17) | 0.0329 (7) | |
N2 | 0.4670 (3) | 0.8221 (3) | 0.81689 (17) | 0.0329 (7) | |
N3 | 0.3796 (3) | 0.8550 (3) | 0.76059 (18) | 0.0381 (8) | |
N4 | 0.7008 (3) | 0.7627 (2) | 0.75141 (17) | 0.0320 (7) | |
N5 | 0.8010 (3) | 0.9159 (3) | 0.83447 (17) | 0.0331 (7) | |
N6 | 0.8433 (3) | 0.9988 (3) | 0.88372 (19) | 0.0404 (8) | |
C1 | 0.7435 (4) | 0.7357 (3) | 0.9521 (2) | 0.0418 (10) | |
H1 | 0.8212 | 0.7631 | 0.9414 | 0.050* | |
C2 | 0.7334 (4) | 0.6660 (4) | 1.0142 (2) | 0.0521 (12) | |
H2 | 0.8038 | 0.6455 | 1.0439 | 0.062* | |
C3 | 0.6186 (5) | 0.6278 (4) | 1.0313 (2) | 0.0541 (12) | |
H3 | 0.6098 | 0.5835 | 1.0739 | 0.065* | |
C4 | 0.5166 (4) | 0.6555 (4) | 0.9848 (2) | 0.0499 (11) | |
H4 | 0.4383 | 0.6289 | 0.9950 | 0.060* | |
C5 | 0.5314 (4) | 0.7224 (3) | 0.9233 (2) | 0.0390 (9) | |
C6 | 0.4339 (3) | 0.7544 (3) | 0.8679 (2) | 0.0400 (10) | |
H6 | 0.3531 | 0.7278 | 0.8693 | 0.048* | |
C7 | 0.4273 (4) | 0.9276 (3) | 0.7157 (2) | 0.0357 (9) | |
C8 | 0.1916 (4) | 0.9025 (5) | 0.6483 (3) | 0.0722 (16) | |
H8A | 0.2081 | 0.8244 | 0.6454 | 0.108* | |
H8B | 0.1331 | 0.9234 | 0.6077 | 0.108* | |
H8C | 0.1578 | 0.9193 | 0.6962 | 0.108* | |
C9 | 0.6424 (4) | 0.6878 (3) | 0.7084 (2) | 0.0392 (9) | |
H9 | 0.5562 | 0.6836 | 0.7081 | 0.047* | |
C10 | 0.7058 (4) | 0.6147 (4) | 0.6632 (2) | 0.0475 (11) | |
H10 | 0.6625 | 0.5632 | 0.6326 | 0.057* | |
C11 | 0.8325 (4) | 0.6195 (4) | 0.6643 (2) | 0.0490 (11) | |
H11 | 0.8763 | 0.5697 | 0.6357 | 0.059* | |
C12 | 0.8949 (4) | 0.6987 (4) | 0.7082 (2) | 0.0454 (10) | |
H12 | 0.9811 | 0.7038 | 0.7092 | 0.055* | |
C13 | 0.8266 (3) | 0.7706 (3) | 0.7508 (2) | 0.0363 (9) | |
C14 | 0.8791 (3) | 0.8583 (3) | 0.7983 (2) | 0.0378 (9) | |
H14 | 0.9640 | 0.8724 | 0.8025 | 0.045* | |
C15 | 0.7519 (4) | 1.0417 (3) | 0.9194 (2) | 0.0413 (10) | |
C16 | 0.9402 (4) | 1.1695 (4) | 0.9833 (3) | 0.0682 (15) | |
H16A | 0.9853 | 1.1034 | 0.9977 | 0.102* | |
H16B | 0.9644 | 1.2285 | 1.0176 | 0.102* | |
H16C | 0.9585 | 1.1901 | 0.9325 | 0.102* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Co1 | 0.0273 (3) | 0.0294 (3) | 0.0322 (3) | −0.0023 (2) | 0.0024 (2) | 0.0013 (2) |
Cl1 | 0.0404 (6) | 0.0631 (8) | 0.0838 (9) | 0.0042 (5) | −0.0038 (6) | 0.0071 (7) |
S1 | 0.0386 (5) | 0.0328 (5) | 0.0403 (6) | −0.0029 (4) | 0.0026 (4) | 0.0054 (4) |
S2 | 0.0508 (7) | 0.0536 (7) | 0.0491 (7) | 0.0072 (5) | −0.0096 (5) | 0.0093 (6) |
S3 | 0.0375 (6) | 0.0447 (6) | 0.0460 (6) | 0.0011 (5) | 0.0052 (5) | −0.0099 (5) |
S4 | 0.0532 (7) | 0.0712 (9) | 0.0722 (9) | −0.0091 (6) | 0.0076 (6) | −0.0382 (7) |
O4 | 0.070 (2) | 0.086 (3) | 0.089 (3) | 0.007 (2) | −0.021 (2) | 0.007 (2) |
N1 | 0.0348 (17) | 0.0311 (17) | 0.0330 (17) | −0.0007 (14) | 0.0023 (14) | 0.0027 (14) |
N2 | 0.0297 (16) | 0.0335 (18) | 0.0360 (18) | −0.0024 (13) | 0.0045 (14) | −0.0002 (14) |
N3 | 0.0303 (17) | 0.0392 (19) | 0.044 (2) | 0.0006 (14) | −0.0014 (14) | 0.0008 (16) |
N4 | 0.0284 (16) | 0.0300 (17) | 0.0376 (18) | −0.0016 (13) | 0.0033 (13) | 0.0041 (14) |
N5 | 0.0319 (16) | 0.0331 (17) | 0.0342 (18) | −0.0044 (14) | 0.0010 (14) | 0.0010 (14) |
N6 | 0.0381 (19) | 0.039 (2) | 0.043 (2) | −0.0083 (15) | −0.0034 (15) | −0.0072 (16) |
C1 | 0.042 (2) | 0.046 (2) | 0.038 (2) | −0.0036 (19) | −0.0027 (18) | 0.0021 (19) |
C2 | 0.064 (3) | 0.050 (3) | 0.040 (3) | 0.000 (2) | −0.012 (2) | 0.004 (2) |
C3 | 0.076 (3) | 0.050 (3) | 0.038 (2) | 0.000 (2) | 0.011 (2) | 0.011 (2) |
C4 | 0.052 (3) | 0.052 (3) | 0.047 (3) | −0.006 (2) | 0.015 (2) | 0.010 (2) |
C5 | 0.043 (2) | 0.034 (2) | 0.040 (2) | −0.0012 (18) | 0.0116 (18) | 0.0029 (18) |
C6 | 0.0286 (19) | 0.042 (2) | 0.051 (3) | −0.0056 (17) | 0.0095 (18) | 0.001 (2) |
C7 | 0.039 (2) | 0.030 (2) | 0.038 (2) | 0.0085 (17) | 0.0031 (17) | −0.0027 (17) |
C8 | 0.048 (3) | 0.080 (4) | 0.085 (4) | −0.004 (3) | −0.022 (3) | 0.002 (3) |
C9 | 0.038 (2) | 0.036 (2) | 0.044 (2) | −0.0084 (18) | 0.0046 (18) | 0.0009 (19) |
C10 | 0.058 (3) | 0.040 (2) | 0.046 (3) | −0.013 (2) | 0.007 (2) | −0.007 (2) |
C11 | 0.057 (3) | 0.042 (3) | 0.049 (3) | 0.004 (2) | 0.015 (2) | −0.008 (2) |
C12 | 0.043 (2) | 0.047 (3) | 0.047 (3) | 0.005 (2) | 0.0098 (19) | −0.004 (2) |
C13 | 0.037 (2) | 0.038 (2) | 0.035 (2) | 0.0004 (17) | 0.0043 (17) | 0.0044 (17) |
C14 | 0.0288 (19) | 0.045 (2) | 0.040 (2) | −0.0028 (17) | 0.0030 (17) | 0.0005 (19) |
C15 | 0.043 (2) | 0.040 (2) | 0.040 (2) | 0.0018 (19) | −0.0002 (19) | −0.0047 (19) |
C16 | 0.052 (3) | 0.073 (4) | 0.079 (4) | −0.001 (3) | −0.002 (3) | −0.031 (3) |
Co1—N2 | 1.884 (3) | N6—C15 | 1.305 (5) |
Co1—N5 | 1.888 (3) | C1—C2 | 1.387 (6) |
Co1—N1 | 1.967 (3) | C1—H1 | 0.9300 |
Co1—N4 | 1.977 (3) | C2—C3 | 1.370 (6) |
Co1—S3 | 2.2294 (12) | C2—H2 | 0.9300 |
Co1—S1 | 2.2403 (11) | C3—C4 | 1.374 (6) |
Cl1—O2 | 1.308 (10) | C3—H3 | 0.9300 |
Cl1—O3 | 1.384 (7) | C4—C5 | 1.367 (5) |
Cl1—O4 | 1.407 (4) | C4—H4 | 0.9300 |
Cl1—O1 | 1.448 (9) | C5—C6 | 1.445 (6) |
Cl1—O3B | 1.474 (9) | C6—H6 | 0.9300 |
Cl1—O2B | 1.518 (7) | C8—H8A | 0.9600 |
Cl1—O1A | 1.521 (8) | C8—H8B | 0.9600 |
S1—C7 | 1.725 (4) | C8—H8C | 0.9600 |
S2—C7 | 1.738 (4) | C9—C10 | 1.392 (6) |
S2—C8 | 1.801 (5) | C9—H9 | 0.9300 |
S3—C15 | 1.722 (4) | C10—C11 | 1.366 (6) |
S4—C15 | 1.734 (4) | C10—H10 | 0.9300 |
S4—C16 | 1.778 (5) | C11—C12 | 1.380 (6) |
N1—C1 | 1.328 (5) | C11—H11 | 0.9300 |
N1—C5 | 1.368 (5) | C12—C13 | 1.385 (5) |
N2—C6 | 1.280 (5) | C12—H12 | 0.9300 |
N2—N3 | 1.387 (4) | C13—C14 | 1.444 (5) |
N3—C7 | 1.305 (5) | C14—H14 | 0.9300 |
N4—C9 | 1.317 (5) | C16—H16A | 0.9600 |
N4—C13 | 1.361 (4) | C16—H16B | 0.9600 |
N5—C14 | 1.287 (5) | C16—H16C | 0.9600 |
N5—N6 | 1.383 (4) | ||
N2—Co1—N5 | 176.69 (13) | N1—C1—C2 | 121.8 (4) |
N2—Co1—N1 | 81.93 (13) | N1—C1—H1 | 119.1 |
N5—Co1—N1 | 94.90 (13) | C2—C1—H1 | 119.1 |
N2—Co1—N4 | 98.25 (13) | C3—C2—C1 | 119.2 (4) |
N5—Co1—N4 | 82.76 (13) | C3—C2—H2 | 120.4 |
N1—Co1—N4 | 92.49 (12) | C1—C2—H2 | 120.4 |
N2—Co1—S3 | 93.64 (10) | C2—C3—C4 | 119.3 (4) |
N5—Co1—S3 | 85.34 (10) | C2—C3—H3 | 120.3 |
N1—Co1—S3 | 88.69 (10) | C4—C3—H3 | 120.3 |
N4—Co1—S3 | 168.11 (9) | C5—C4—C3 | 119.3 (4) |
N2—Co1—S1 | 85.42 (10) | C5—C4—H4 | 120.3 |
N5—Co1—S1 | 97.75 (10) | C3—C4—H4 | 120.3 |
N1—Co1—S1 | 167.33 (9) | C4—C5—N1 | 121.6 (4) |
N4—Co1—S1 | 89.97 (9) | C4—C5—C6 | 125.4 (4) |
S3—Co1—S1 | 91.46 (5) | N1—C5—C6 | 113.0 (3) |
O2—Cl1—O3 | 111.2 (5) | N2—C6—C5 | 115.0 (3) |
O2—Cl1—O4 | 118.6 (5) | N2—C6—H6 | 122.5 |
O3—Cl1—O4 | 122.2 (4) | C5—C6—H6 | 122.5 |
O2—Cl1—O1 | 115.6 (6) | N3—C7—S1 | 126.2 (3) |
O3—Cl1—O1 | 82.8 (5) | N3—C7—S2 | 118.1 (3) |
O4—Cl1—O1 | 99.6 (4) | S1—C7—S2 | 115.7 (2) |
O2—Cl1—O3B | 112.2 (6) | S2—C8—H8A | 109.5 |
O3—Cl1—O3B | 26.4 (4) | S2—C8—H8B | 109.5 |
O4—Cl1—O3B | 103.9 (4) | H8A—C8—H8B | 109.5 |
O1—Cl1—O3B | 105.2 (5) | S2—C8—H8C | 109.5 |
O2—Cl1—O2B | 25.4 (5) | H8A—C8—H8C | 109.5 |
O3—Cl1—O2B | 110.1 (4) | H8B—C8—H8C | 109.5 |
O4—Cl1—O2B | 103.2 (3) | N4—C9—C10 | 121.9 (4) |
O1—Cl1—O2B | 141.0 (5) | N4—C9—H9 | 119.1 |
O3B—Cl1—O2B | 99.6 (4) | C10—C9—H9 | 119.1 |
O2—Cl1—O1A | 77.1 (5) | C11—C10—C9 | 119.3 (4) |
O3—Cl1—O1A | 107.3 (4) | C11—C10—H10 | 120.4 |
O4—Cl1—O1A | 110.5 (3) | C9—C10—H10 | 120.4 |
O1—Cl1—O1A | 40.2 (4) | C10—C11—C12 | 119.5 (4) |
O3B—Cl1—O1A | 133.7 (5) | C10—C11—H11 | 120.2 |
O2B—Cl1—O1A | 101.6 (4) | C12—C11—H11 | 120.2 |
C7—S1—Co1 | 93.68 (14) | C11—C12—C13 | 118.6 (4) |
C7—S2—C8 | 102.5 (2) | C11—C12—H12 | 120.7 |
C15—S3—Co1 | 94.38 (14) | C13—C12—H12 | 120.7 |
C15—S4—C16 | 102.5 (2) | N4—C13—C12 | 121.5 (4) |
C1—N1—C5 | 118.7 (3) | N4—C13—C14 | 113.9 (3) |
C1—N1—Co1 | 129.2 (3) | C12—C13—C14 | 124.7 (4) |
C5—N1—Co1 | 111.9 (2) | N5—C14—C13 | 115.8 (3) |
C6—N2—N3 | 118.6 (3) | N5—C14—H14 | 122.1 |
C6—N2—Co1 | 117.5 (3) | C13—C14—H14 | 122.1 |
N3—N2—Co1 | 123.9 (2) | N6—C15—S3 | 125.5 (3) |
C7—N3—N2 | 110.4 (3) | N6—C15—S4 | 121.1 (3) |
C9—N4—C13 | 119.2 (3) | S3—C15—S4 | 113.4 (2) |
C9—N4—Co1 | 129.5 (3) | S4—C16—H16A | 109.5 |
C13—N4—Co1 | 111.2 (2) | S4—C16—H16B | 109.5 |
C14—N5—N6 | 119.8 (3) | H16A—C16—H16B | 109.5 |
C14—N5—Co1 | 116.1 (3) | S4—C16—H16C | 109.5 |
N6—N5—Co1 | 123.8 (2) | H16A—C16—H16C | 109.5 |
C15—N6—N5 | 110.9 (3) | H16B—C16—H16C | 109.5 |
N2—Co1—S1—C7 | −4.60 (16) | N1—Co1—N5—N6 | −86.0 (3) |
N5—Co1—S1—C7 | 176.37 (16) | N4—Co1—N5—N6 | −177.9 (3) |
N1—Co1—S1—C7 | −7.6 (5) | S3—Co1—N5—N6 | 2.2 (3) |
N4—Co1—S1—C7 | 93.68 (15) | S1—Co1—N5—N6 | 93.1 (3) |
S3—Co1—S1—C7 | −98.13 (13) | C14—N5—N6—C15 | −175.0 (4) |
N2—Co1—S3—C15 | 174.70 (17) | Co1—N5—N6—C15 | −1.0 (4) |
N5—Co1—S3—C15 | −2.15 (17) | C5—N1—C1—C2 | −0.8 (6) |
N1—Co1—S3—C15 | 92.87 (17) | Co1—N1—C1—C2 | 174.1 (3) |
N4—Co1—S3—C15 | −3.0 (5) | N1—C1—C2—C3 | −1.7 (6) |
S1—Co1—S3—C15 | −99.81 (15) | C1—C2—C3—C4 | 2.7 (7) |
N2—Co1—N1—C1 | 178.1 (4) | C2—C3—C4—C5 | −1.3 (7) |
N5—Co1—N1—C1 | −2.8 (4) | C3—C4—C5—N1 | −1.2 (6) |
N4—Co1—N1—C1 | 80.1 (3) | C3—C4—C5—C6 | 177.3 (4) |
S3—Co1—N1—C1 | −88.0 (3) | C1—N1—C5—C4 | 2.3 (6) |
S1—Co1—N1—C1 | −178.9 (3) | Co1—N1—C5—C4 | −173.4 (3) |
N2—Co1—N1—C5 | −6.7 (3) | C1—N1—C5—C6 | −176.4 (3) |
N5—Co1—N1—C5 | 172.3 (3) | Co1—N1—C5—C6 | 7.9 (4) |
N4—Co1—N1—C5 | −104.7 (3) | N3—N2—C6—C5 | 178.5 (3) |
S3—Co1—N1—C5 | 87.1 (2) | Co1—N2—C6—C5 | −1.2 (5) |
S1—Co1—N1—C5 | −3.7 (6) | C4—C5—C6—N2 | 176.7 (4) |
N5—Co1—N2—C6 | −12 (3) | N1—C5—C6—N2 | −4.7 (5) |
N1—Co1—N2—C6 | 4.4 (3) | N2—N3—C7—S1 | −2.3 (5) |
N4—Co1—N2—C6 | 95.8 (3) | N2—N3—C7—S2 | 179.0 (2) |
S3—Co1—N2—C6 | −83.8 (3) | Co1—S1—C7—N3 | 5.3 (4) |
S1—Co1—N2—C6 | −174.9 (3) | Co1—S1—C7—S2 | −176.03 (19) |
N5—Co1—N2—N3 | 169 (2) | C8—S2—C7—N3 | −2.1 (4) |
N1—Co1—N2—N3 | −175.3 (3) | C8—S2—C7—S1 | 179.1 (3) |
N4—Co1—N2—N3 | −83.9 (3) | C13—N4—C9—C10 | 1.3 (6) |
S3—Co1—N2—N3 | 96.6 (3) | Co1—N4—C9—C10 | −177.3 (3) |
S1—Co1—N2—N3 | 5.4 (3) | N4—C9—C10—C11 | 1.0 (6) |
C6—N2—N3—C7 | 177.0 (3) | C9—C10—C11—C12 | −2.0 (7) |
Co1—N2—N3—C7 | −3.3 (4) | C10—C11—C12—C13 | 0.8 (7) |
N2—Co1—N4—C9 | 5.6 (4) | C9—N4—C13—C12 | −2.5 (6) |
N5—Co1—N4—C9 | −177.6 (3) | Co1—N4—C13—C12 | 176.3 (3) |
N1—Co1—N4—C9 | 87.8 (3) | C9—N4—C13—C14 | 177.9 (3) |
S3—Co1—N4—C9 | −176.7 (3) | Co1—N4—C13—C14 | −3.2 (4) |
S1—Co1—N4—C9 | −79.8 (3) | C11—C12—C13—N4 | 1.5 (6) |
N2—Co1—N4—C13 | −173.1 (2) | C11—C12—C13—C14 | −179.0 (4) |
N5—Co1—N4—C13 | 3.8 (2) | N6—N5—C14—C13 | 177.4 (3) |
N1—Co1—N4—C13 | −90.9 (3) | Co1—N5—C14—C13 | 3.0 (4) |
S3—Co1—N4—C13 | 4.6 (6) | N4—C13—C14—N5 | 0.4 (5) |
S1—Co1—N4—C13 | 101.6 (2) | C12—C13—C14—N5 | −179.1 (4) |
N2—Co1—N5—C14 | 104 (2) | N5—N6—C15—S3 | −1.6 (5) |
N1—Co1—N5—C14 | 88.1 (3) | N5—N6—C15—S4 | 177.9 (3) |
N4—Co1—N5—C14 | −3.8 (3) | Co1—S3—C15—N6 | 2.8 (4) |
S3—Co1—N5—C14 | 176.4 (3) | Co1—S3—C15—S4 | −176.7 (2) |
S1—Co1—N5—C14 | −92.7 (3) | C16—S4—C15—N6 | 3.7 (4) |
N2—Co1—N5—N6 | −70 (2) | C16—S4—C15—S3 | −176.7 (3) |
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