A new cobalt complex, [Co2(C10H2O8)(C10H8N2)4(H2O)2]·12H2O, has been hydrothermally synthesized at 413 K over a period of 8 h. Its structure has been determined by single-crystal X-ray diffraction analysis. Each metal ion center is in a distorted octahedral geometry and coordinated by four N atoms from the two 2,2′-bipyridine ligands, an O atom from H2O and an O atom from the bridging benzene-1,2,4,5-tetracarboxylate ligand. There is a center of inversion at the center of the benzene ring.
Supporting information
CCDC reference: 628426
Key indicators
- Single-crystal X-ray study
- T = 120 K
- Mean (C-C) = 0.002 Å
- R factor = 0.029
- wR factor = 0.068
- Data-to-parameter ratio = 13.4
checkCIF/PLATON results
No syntax errors found
Alert level B
PLAT222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 5.00 Ratio
PLAT223_ALERT_4_B Large Solvent/Anion H Ueq(max)/Ueq(min) ... 4.46 Ratio
PLAT417_ALERT_2_B Short Inter D-H..H-D H7B .. H7B .. 1.77 Ang.
Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ?
PLAT128_ALERT_4_C Non-standard setting of Space group P21/c .... P21/a
PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct... 17
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.26 Ratio
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Co1 - N2 .. 5.01 su
PLAT354_ALERT_3_C Short O-H Bond (0.82A) O7 - H7B ... 0.69 Ang.
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 11
O2 -CO1 -N2 -C10 -157.40 0.20 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 16
O2 -CO1 -N2 -C6 13.70 0.30 1.555 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 113
N2 -CO1 -O2 -C21 59.10 0.30 1.555 1.555 1.555 1.555
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2
H2 O
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 3
H2 O
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 4
H2 O
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 5
H2 O
0 ALERT level A = In general: serious problem
3 ALERT level B = Potentially serious problem
15 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
3 ALERT type 2 Indicator that the structure model may be wrong or deficient
2 ALERT type 3 Indicator that the structure quality may be low
11 ALERT type 4 Improvement, methodology, query or suggestion
0 ALERT type 5 Informative message, check
Data collection: X-AREA (Stoe & Cie, 2005); cell refinement: X-AREA; data reduction: X-AREA; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).
µ-Benzene-1,2,4,5-tetracarboxylato-bis[aquabis(2,2'-bipyridine)cobalt(II)]
dodecahydrate
top
Crystal data top
[Co2(C10H2O8)(C10H8N2)4(H2O)2]·12H2O | F(000) = 1296 |
Mr = 1244.94 | Dx = 1.5 Mg m−3 |
Monoclinic, P21/a | Mo Kα radiation, λ = 0.71073 Å |
a = 10.3685 (8) Å | Cell parameters from 2000 reflections |
b = 25.5118 (19) Å | θ = 1.6–27.9° |
c = 10.5823 (8) Å | µ = 0.69 mm−1 |
β = 100.091 (6)° | T = 120 K |
V = 2755.9 (4) Å3 | Block, yellow |
Z = 2 | 0.5 × 0.25 × 0.1 mm |
Data collection top
STOE IPDS II diffractometer | 5942 reflections with I > 2σ(I) |
ω scans | Rint = 0.024 |
Absorption correction: numerical (X-RED and X-SHAPE; Stoe & Cie, 2005) | θmax = 27.9°, θmin = 1.6° |
Tmin = 0.813, Tmax = 0.933 | h = −13→12 |
19882 measured reflections | k = −33→33 |
6612 independent reflections | l = −13→13 |
Refinement top
Refinement on F2 | 0 restraints |
Least-squares matrix: full | All H-atom parameters refined |
R[F2 > 2σ(F2)] = 0.029 | w = 1/[σ2(Fo2) + (0.0261P)2 + 1.8338P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.068 | (Δ/σ)max = 0.011 |
S = 1.06 | Δρmax = 0.39 e Å−3 |
6612 reflections | Δρmin = −0.31 e Å−3 |
494 parameters | |
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. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Co1 | 0.868740 (17) | 0.621744 (7) | 0.802307 (17) | 0.01177 (5) | |
N1 | 0.82543 (11) | 0.69889 (4) | 0.85072 (11) | 0.0141 (2) | |
N2 | 0.99406 (11) | 0.66808 (4) | 0.70447 (11) | 0.0141 (2) | |
N3 | 0.94849 (13) | 0.54816 (5) | 0.76111 (11) | 0.0176 (2) | |
N4 | 1.01469 (11) | 0.60788 (4) | 0.96681 (11) | 0.0136 (2) | |
C1 | 0.74480 (14) | 0.71155 (6) | 0.93265 (14) | 0.0169 (3) | |
H1 | 0.7017 (18) | 0.6832 (7) | 0.9617 (17) | 0.020 (4)* | |
C2 | 0.72713 (14) | 0.76277 (6) | 0.96941 (14) | 0.0187 (3) | |
H2 | 0.671 (2) | 0.7695 (8) | 1.0260 (19) | 0.027 (5)* | |
C3 | 0.79569 (15) | 0.80241 (6) | 0.92081 (15) | 0.0201 (3) | |
H3 | 0.7863 (18) | 0.8378 (8) | 0.9471 (18) | 0.025 (5)* | |
C4 | 0.87869 (14) | 0.78990 (6) | 0.83557 (14) | 0.0185 (3) | |
H4 | 0.9282 (19) | 0.8168 (7) | 0.8028 (18) | 0.024 (5)* | |
C5 | 0.89015 (13) | 0.73770 (5) | 0.80143 (13) | 0.0142 (3) | |
C6 | 0.97576 (13) | 0.72036 (5) | 0.71072 (13) | 0.0145 (3) | |
C7 | 1.03360 (15) | 0.75542 (6) | 0.63667 (15) | 0.0208 (3) | |
H7 | 1.0161 (19) | 0.7916 (8) | 0.6407 (18) | 0.026 (5)* | |
C8 | 1.11363 (16) | 0.73606 (6) | 0.55531 (15) | 0.0241 (3) | |
H8 | 1.154 (2) | 0.7588 (8) | 0.5051 (19) | 0.030 (5)* | |
C9 | 1.13567 (15) | 0.68266 (6) | 0.55127 (15) | 0.0218 (3) | |
H9 | 1.193 (2) | 0.6679 (8) | 0.5001 (19) | 0.031 (5)* | |
C10 | 1.07383 (14) | 0.65009 (6) | 0.62707 (14) | 0.0182 (3) | |
H10 | 1.0866 (17) | 0.6137 (7) | 0.6271 (17) | 0.016 (4)* | |
C11 | 0.9078 (2) | 0.51926 (6) | 0.65589 (16) | 0.0284 (4) | |
H11 | 0.838 (2) | 0.5343 (8) | 0.600 (2) | 0.036 (6)* | |
C12 | 0.9655 (2) | 0.47191 (7) | 0.63357 (18) | 0.0352 (4) | |
H12 | 0.931 (2) | 0.4540 (9) | 0.558 (2) | 0.042 (6)* | |
C13 | 1.0698 (2) | 0.45394 (7) | 0.7218 (2) | 0.0351 (4) | |
H13 | 1.111 (2) | 0.4220 (10) | 0.708 (2) | 0.048 (7)* | |
C14 | 1.11229 (17) | 0.48299 (6) | 0.83174 (19) | 0.0280 (4) | |
H14 | 1.181 (2) | 0.4723 (9) | 0.894 (2) | 0.040 (6)* | |
C15 | 1.04897 (14) | 0.53017 (5) | 0.84904 (14) | 0.0177 (3) | |
C16 | 1.08566 (13) | 0.56360 (5) | 0.96426 (14) | 0.0160 (3) | |
C17 | 1.18613 (15) | 0.55051 (6) | 1.06457 (16) | 0.0240 (3) | |
H17 | 1.2331 (19) | 0.5190 (8) | 1.0620 (19) | 0.028 (5)* | |
C18 | 1.21572 (16) | 0.58415 (7) | 1.16799 (17) | 0.0273 (3) | |
H18 | 1.285 (2) | 0.5767 (9) | 1.238 (2) | 0.040 (6)* | |
C19 | 1.14280 (16) | 0.62946 (6) | 1.17093 (15) | 0.0231 (3) | |
H19 | 1.160 (2) | 0.6546 (8) | 1.242 (2) | 0.033 (5)* | |
C20 | 1.04199 (14) | 0.63945 (5) | 1.06916 (14) | 0.0168 (3) | |
H20 | 0.9932 (18) | 0.6700 (7) | 1.0684 (17) | 0.017 (4)* | |
C21 | 0.60789 (13) | 0.58355 (5) | 0.86321 (12) | 0.0118 (2) | |
C22 | 0.50880 (12) | 0.49634 (5) | 0.87214 (13) | 0.0121 (2) | |
H22 | 0.5178 (16) | 0.4936 (6) | 0.7819 (16) | 0.010 (4)* | |
C23 | 0.54405 (12) | 0.54319 (5) | 0.93711 (12) | 0.0108 (2) | |
C24 | 0.53438 (12) | 0.54738 (5) | 1.06735 (12) | 0.0110 (2) | |
C25 | 0.55948 (13) | 0.59864 (5) | 1.14035 (13) | 0.0129 (2) | |
O1 | 0.73043 (12) | 0.62098 (6) | 0.63198 (11) | 0.0298 (3) | |
H1A | 0.658 (3) | 0.6225 (10) | 0.649 (2) | 0.050 (7)* | |
H1B | 0.739 (2) | 0.6352 (9) | 0.567 (2) | 0.036 (6)* | |
O2 | 0.73088 (9) | 0.58731 (4) | 0.89799 (9) | 0.01472 (19) | |
O3 | 0.54059 (10) | 0.60607 (4) | 0.76909 (10) | 0.0179 (2) | |
O4 | 0.57464 (11) | 0.59630 (4) | 1.26262 (10) | 0.0195 (2) | |
O5 | 0.55904 (11) | 0.63954 (4) | 1.07709 (10) | 0.0191 (2) | |
O6 | 0.54799 (13) | 0.73696 (4) | 1.19545 (12) | 0.0239 (2) | |
H6A | 0.546 (3) | 0.7069 (11) | 1.162 (3) | 0.054 (7)* | |
H6B | 0.619 (3) | 0.7417 (11) | 1.235 (3) | 0.065 (9)* | |
O7 | 0.61300 (14) | 0.52538 (5) | 1.46061 (13) | 0.0316 (3) | |
H7A | 0.599 (3) | 0.5467 (11) | 1.392 (3) | 0.056 (7)* | |
H7B | 0.566 (7) | 0.522 (3) | 1.499 (7) | 0.25 (3)* | |
O8 | 0.41707 (13) | 0.64917 (5) | 1.42206 (13) | 0.0286 (3) | |
H8A | 0.392 (2) | 0.6252 (10) | 1.466 (2) | 0.045 (7)* | |
H8B | 0.467 (2) | 0.6357 (9) | 1.375 (2) | 0.046 (7)* | |
O9 | 0.32455 (12) | 0.74532 (5) | 1.31460 (12) | 0.0232 (2) | |
H9A | 0.343 (2) | 0.7196 (10) | 1.354 (2) | 0.039 (6)* | |
H9B | 0.388 (4) | 0.7460 (14) | 1.270 (3) | 0.096 (12)* | |
O10 | 0.32216 (12) | 0.57810 (5) | 0.58663 (13) | 0.0293 (3) | |
H10A | 0.380 (2) | 0.5856 (9) | 0.652 (2) | 0.044 (6)* | |
H10B | 0.336 (3) | 0.5446 (11) | 0.574 (2) | 0.056 (7)* | |
O11 | 0.77625 (12) | 0.65370 (5) | 0.40582 (11) | 0.0265 (2) | |
H11A | 0.716 (2) | 0.6438 (9) | 0.353 (2) | 0.039 (6)* | |
H11B | 0.792 (2) | 0.6834 (11) | 0.380 (2) | 0.048 (7)* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Co1 | 0.01165 (9) | 0.01175 (9) | 0.01225 (9) | −0.00243 (6) | 0.00302 (6) | 0.00067 (7) |
N1 | 0.0132 (5) | 0.0131 (5) | 0.0165 (5) | 0.0006 (4) | 0.0040 (4) | 0.0036 (4) |
N2 | 0.0122 (5) | 0.0149 (5) | 0.0155 (5) | −0.0020 (4) | 0.0030 (4) | 0.0010 (4) |
N3 | 0.0244 (6) | 0.0135 (5) | 0.0162 (6) | −0.0029 (5) | 0.0072 (5) | −0.0009 (4) |
N4 | 0.0122 (5) | 0.0124 (5) | 0.0162 (5) | −0.0019 (4) | 0.0027 (4) | 0.0019 (4) |
C1 | 0.0162 (6) | 0.0161 (6) | 0.0195 (7) | 0.0003 (5) | 0.0059 (5) | 0.0038 (5) |
C2 | 0.0171 (7) | 0.0192 (7) | 0.0208 (7) | 0.0016 (5) | 0.0064 (5) | −0.0001 (6) |
C3 | 0.0216 (7) | 0.0134 (6) | 0.0254 (7) | 0.0009 (5) | 0.0042 (6) | −0.0021 (5) |
C4 | 0.0185 (7) | 0.0139 (6) | 0.0235 (7) | −0.0021 (5) | 0.0050 (6) | 0.0025 (5) |
C5 | 0.0116 (6) | 0.0146 (6) | 0.0162 (6) | 0.0002 (5) | 0.0017 (5) | 0.0035 (5) |
C6 | 0.0124 (6) | 0.0159 (6) | 0.0149 (6) | −0.0006 (5) | 0.0015 (5) | 0.0026 (5) |
C7 | 0.0220 (7) | 0.0177 (7) | 0.0241 (7) | −0.0005 (6) | 0.0075 (6) | 0.0070 (6) |
C8 | 0.0255 (8) | 0.0260 (8) | 0.0233 (8) | −0.0044 (6) | 0.0111 (6) | 0.0066 (6) |
C9 | 0.0193 (7) | 0.0284 (8) | 0.0201 (7) | −0.0018 (6) | 0.0100 (6) | 0.0000 (6) |
C10 | 0.0174 (7) | 0.0185 (7) | 0.0195 (7) | −0.0019 (5) | 0.0055 (5) | −0.0007 (5) |
C11 | 0.0478 (11) | 0.0196 (7) | 0.0182 (7) | −0.0070 (7) | 0.0065 (7) | −0.0019 (6) |
C12 | 0.0641 (13) | 0.0204 (8) | 0.0257 (9) | −0.0094 (8) | 0.0205 (9) | −0.0096 (7) |
C13 | 0.0455 (11) | 0.0194 (8) | 0.0478 (11) | −0.0004 (7) | 0.0287 (9) | −0.0086 (7) |
C14 | 0.0233 (8) | 0.0189 (7) | 0.0448 (10) | 0.0021 (6) | 0.0142 (7) | −0.0020 (7) |
C15 | 0.0165 (7) | 0.0146 (6) | 0.0244 (7) | −0.0014 (5) | 0.0096 (5) | 0.0000 (5) |
C16 | 0.0117 (6) | 0.0148 (6) | 0.0220 (7) | −0.0013 (5) | 0.0042 (5) | 0.0023 (5) |
C17 | 0.0145 (7) | 0.0220 (7) | 0.0335 (8) | 0.0028 (6) | −0.0013 (6) | 0.0046 (6) |
C18 | 0.0184 (7) | 0.0295 (8) | 0.0297 (8) | −0.0029 (6) | −0.0072 (6) | 0.0064 (7) |
C19 | 0.0246 (8) | 0.0224 (7) | 0.0200 (7) | −0.0073 (6) | −0.0023 (6) | 0.0006 (6) |
C20 | 0.0178 (7) | 0.0144 (6) | 0.0182 (7) | −0.0034 (5) | 0.0028 (5) | 0.0006 (5) |
C21 | 0.0152 (6) | 0.0076 (5) | 0.0140 (6) | −0.0006 (4) | 0.0061 (5) | −0.0019 (5) |
C22 | 0.0114 (6) | 0.0125 (6) | 0.0127 (6) | 0.0002 (5) | 0.0033 (5) | −0.0001 (5) |
C23 | 0.0086 (6) | 0.0102 (5) | 0.0137 (6) | 0.0004 (4) | 0.0026 (4) | 0.0010 (5) |
C24 | 0.0096 (6) | 0.0099 (5) | 0.0138 (6) | 0.0002 (4) | 0.0023 (4) | −0.0009 (5) |
C25 | 0.0114 (6) | 0.0125 (6) | 0.0156 (6) | −0.0008 (5) | 0.0047 (5) | −0.0022 (5) |
O1 | 0.0153 (5) | 0.0596 (8) | 0.0144 (5) | 0.0007 (5) | 0.0028 (4) | 0.0082 (5) |
O2 | 0.0142 (5) | 0.0152 (4) | 0.0150 (5) | −0.0049 (4) | 0.0035 (4) | 0.0007 (4) |
O3 | 0.0169 (5) | 0.0182 (5) | 0.0194 (5) | 0.0033 (4) | 0.0054 (4) | 0.0075 (4) |
O4 | 0.0296 (6) | 0.0150 (5) | 0.0136 (5) | −0.0022 (4) | 0.0026 (4) | −0.0029 (4) |
O5 | 0.0296 (6) | 0.0101 (4) | 0.0194 (5) | −0.0017 (4) | 0.0092 (4) | −0.0010 (4) |
O6 | 0.0302 (7) | 0.0163 (5) | 0.0265 (6) | −0.0007 (4) | 0.0089 (5) | −0.0047 (4) |
O7 | 0.0356 (7) | 0.0351 (7) | 0.0219 (6) | 0.0008 (5) | −0.0011 (5) | 0.0032 (5) |
O8 | 0.0365 (7) | 0.0215 (6) | 0.0311 (6) | 0.0053 (5) | 0.0151 (5) | 0.0008 (5) |
O9 | 0.0235 (6) | 0.0216 (5) | 0.0255 (6) | 0.0044 (4) | 0.0071 (5) | 0.0030 (5) |
O10 | 0.0249 (6) | 0.0271 (6) | 0.0335 (7) | 0.0033 (5) | −0.0017 (5) | 0.0047 (5) |
O11 | 0.0275 (6) | 0.0304 (6) | 0.0201 (6) | −0.0098 (5) | −0.0003 (5) | 0.0055 (5) |
Geometric parameters (Å, º) top
Co1—O2 | 2.0850 (9) | C14—C15 | 1.398 (2) |
Co1—O1 | 2.0976 (12) | C14—H14 | 0.93 (2) |
Co1—N1 | 2.1020 (12) | C15—C16 | 1.482 (2) |
Co1—N4 | 2.1266 (12) | C16—C17 | 1.391 (2) |
Co1—N3 | 2.1271 (12) | C17—C18 | 1.382 (2) |
Co1—N2 | 2.1515 (11) | C17—H17 | 0.94 (2) |
N1—C1 | 1.3449 (18) | C18—C19 | 1.385 (2) |
N1—C5 | 1.3511 (17) | C18—H18 | 0.96 (2) |
N2—C10 | 1.3428 (18) | C19—C20 | 1.387 (2) |
N2—C6 | 1.3505 (18) | C19—H19 | 0.98 (2) |
N3—C11 | 1.340 (2) | C20—H20 | 0.929 (18) |
N3—C15 | 1.350 (2) | C21—O3 | 1.2512 (17) |
N4—C20 | 1.3396 (18) | C21—O2 | 1.2674 (16) |
N4—C16 | 1.3509 (17) | C21—C23 | 1.5136 (17) |
C1—C2 | 1.385 (2) | C22—C23 | 1.3953 (18) |
C1—H1 | 0.930 (19) | C22—C24i | 1.3982 (17) |
C2—C3 | 1.386 (2) | C22—H22 | 0.978 (16) |
C2—H2 | 0.92 (2) | C23—C24 | 1.4033 (18) |
C3—C4 | 1.389 (2) | C24—C22i | 1.3982 (17) |
C3—H3 | 0.956 (19) | C24—C25 | 1.5181 (17) |
C4—C5 | 1.3905 (19) | C25—O5 | 1.2392 (17) |
C4—H4 | 0.958 (19) | C25—O4 | 1.2771 (17) |
C5—C6 | 1.4845 (19) | O1—H1A | 0.80 (3) |
C6—C7 | 1.3923 (19) | O1—H1B | 0.80 (2) |
C7—C8 | 1.387 (2) | O6—H6A | 0.85 (3) |
C7—H7 | 0.94 (2) | O6—H6B | 0.79 (3) |
C8—C9 | 1.383 (2) | O7—H7A | 0.90 (3) |
C8—H8 | 0.93 (2) | O7—H7B | 0.70 (7) |
C9—C10 | 1.388 (2) | O8—H8A | 0.84 (3) |
C9—H9 | 0.95 (2) | O8—H8B | 0.85 (3) |
C10—H10 | 0.937 (18) | O9—H9A | 0.78 (2) |
C11—C12 | 1.386 (2) | O9—H9B | 0.87 (4) |
C11—H11 | 0.93 (2) | O10—H10A | 0.86 (3) |
C12—C13 | 1.378 (3) | O10—H10B | 0.88 (3) |
C12—H12 | 0.94 (2) | O11—H11A | 0.80 (3) |
C13—C14 | 1.385 (3) | O11—H11B | 0.83 (3) |
C13—H13 | 0.94 (2) | | |
| | | |
O2—Co1—O1 | 89.41 (5) | C9—C10—H10 | 120.9 (11) |
O2—Co1—N1 | 94.71 (4) | N3—C11—C12 | 122.59 (18) |
O1—Co1—N1 | 94.30 (5) | N3—C11—H11 | 113.5 (13) |
O2—Co1—N4 | 89.00 (4) | C12—C11—H11 | 123.9 (13) |
O1—Co1—N4 | 169.47 (5) | C13—C12—C11 | 119.04 (17) |
N1—Co1—N4 | 96.20 (4) | C13—C12—H12 | 123.7 (14) |
O2—Co1—N3 | 92.98 (4) | C11—C12—H12 | 117.3 (14) |
O1—Co1—N3 | 92.72 (5) | C12—C13—C14 | 119.19 (16) |
N1—Co1—N3 | 169.63 (5) | C12—C13—H13 | 120.5 (15) |
N4—Co1—N3 | 76.97 (5) | C14—C13—H13 | 120.3 (15) |
O2—Co1—N2 | 171.26 (4) | C13—C14—C15 | 118.89 (17) |
O1—Co1—N2 | 88.35 (5) | C13—C14—H14 | 122.3 (14) |
N1—Co1—N2 | 77.04 (4) | C15—C14—H14 | 118.8 (14) |
N4—Co1—N2 | 94.71 (4) | N3—C15—C14 | 121.72 (15) |
N3—Co1—N2 | 95.57 (4) | N3—C15—C16 | 115.30 (12) |
C1—N1—C5 | 118.68 (12) | C14—C15—C16 | 122.98 (15) |
C1—N1—Co1 | 124.43 (9) | N4—C16—C17 | 121.55 (14) |
C5—N1—Co1 | 116.76 (9) | N4—C16—C15 | 115.81 (12) |
C10—N2—C6 | 118.32 (12) | C17—C16—C15 | 122.64 (13) |
C10—N2—Co1 | 126.45 (9) | C18—C17—C16 | 119.17 (14) |
C6—N2—Co1 | 114.66 (9) | C18—C17—H17 | 120.6 (12) |
C11—N3—C15 | 118.57 (14) | C16—C17—H17 | 120.3 (12) |
C11—N3—Co1 | 125.36 (12) | C17—C18—C19 | 119.33 (15) |
C15—N3—Co1 | 116.07 (9) | C17—C18—H18 | 121.4 (13) |
C20—N4—C16 | 118.70 (12) | C19—C18—H18 | 119.2 (13) |
C20—N4—Co1 | 125.52 (10) | C18—C19—C20 | 118.44 (15) |
C16—N4—Co1 | 115.77 (9) | C18—C19—H19 | 122.4 (13) |
N1—C1—C2 | 122.37 (13) | C20—C19—H19 | 119.1 (13) |
N1—C1—H1 | 114.5 (11) | N4—C20—C19 | 122.76 (14) |
C2—C1—H1 | 123.1 (11) | N4—C20—H20 | 117.4 (11) |
C1—C2—C3 | 118.86 (13) | C19—C20—H20 | 119.8 (11) |
C1—C2—H2 | 119.3 (12) | O3—C21—O2 | 126.07 (12) |
C3—C2—H2 | 121.9 (12) | O3—C21—C23 | 119.36 (12) |
C2—C3—C4 | 119.34 (13) | O2—C21—C23 | 114.23 (11) |
C2—C3—H3 | 119.8 (11) | C23—C22—C24i | 122.34 (12) |
C4—C3—H3 | 120.9 (11) | C23—C22—H22 | 118.7 (9) |
C3—C4—C5 | 118.67 (13) | C24i—C22—H22 | 118.9 (9) |
C3—C4—H4 | 120.2 (11) | C22—C23—C24 | 119.44 (11) |
C5—C4—H4 | 121.1 (11) | C22—C23—C21 | 115.38 (11) |
N1—C5—C4 | 122.05 (13) | C24—C23—C21 | 124.65 (11) |
N1—C5—C6 | 115.15 (12) | C22i—C24—C23 | 118.21 (11) |
C4—C5—C6 | 122.78 (12) | C22i—C24—C25 | 119.62 (11) |
N2—C6—C7 | 121.93 (13) | C23—C24—C25 | 122.01 (11) |
N2—C6—C5 | 115.53 (11) | O5—C25—O4 | 125.09 (12) |
C7—C6—C5 | 122.54 (13) | O5—C25—C24 | 117.79 (12) |
C8—C7—C6 | 118.95 (14) | O4—C25—C24 | 117.06 (11) |
C8—C7—H7 | 121.2 (12) | Co1—O1—H1A | 109.3 (18) |
C6—C7—H7 | 119.8 (12) | Co1—O1—H1B | 125.1 (17) |
C9—C8—C7 | 119.34 (14) | H1A—O1—H1B | 115 (2) |
C9—C8—H8 | 120.1 (12) | C21—O2—Co1 | 129.16 (9) |
C7—C8—H8 | 120.6 (12) | H6A—O6—H6B | 109 (3) |
C8—C9—C10 | 118.44 (14) | H7A—O7—H7B | 121 (7) |
C8—C9—H9 | 122.2 (12) | H8A—O8—H8B | 108 (2) |
C10—C9—H9 | 119.3 (12) | H9A—O9—H9B | 100 (3) |
N2—C10—C9 | 122.98 (14) | H10A—O10—H10B | 103 (2) |
N2—C10—H10 | 116.1 (11) | H11A—O11—H11B | 104 (2) |
| | | |
O2—Co1—N1—C1 | 7.58 (12) | N1—C5—C6—C7 | 170.02 (13) |
O1—Co1—N1—C1 | 97.34 (12) | C4—C5—C6—C7 | −11.1 (2) |
N4—Co1—N1—C1 | −81.92 (12) | N2—C6—C7—C8 | −0.8 (2) |
N3—Co1—N1—C1 | −130.1 (2) | C5—C6—C7—C8 | 179.23 (14) |
N2—Co1—N1—C1 | −175.35 (12) | C6—C7—C8—C9 | −1.0 (2) |
O2—Co1—N1—C5 | −176.69 (10) | C7—C8—C9—C10 | 1.6 (2) |
O1—Co1—N1—C5 | −86.93 (10) | C6—N2—C10—C9 | −1.5 (2) |
N4—Co1—N1—C5 | 93.81 (10) | Co1—N2—C10—C9 | 169.30 (11) |
N3—Co1—N1—C5 | 45.6 (3) | C8—C9—C10—N2 | −0.3 (2) |
N2—Co1—N1—C5 | 0.38 (10) | C15—N3—C11—C12 | −0.5 (2) |
O2—Co1—N2—C10 | −157.4 (2) | Co1—N3—C11—C12 | 178.89 (13) |
O1—Co1—N2—C10 | −82.23 (12) | N3—C11—C12—C13 | −0.9 (3) |
N1—Co1—N2—C10 | −177.03 (13) | C11—C12—C13—C14 | 1.5 (3) |
N4—Co1—N2—C10 | 87.68 (12) | C12—C13—C14—C15 | −0.9 (3) |
N3—Co1—N2—C10 | 10.35 (12) | C11—N3—C15—C14 | 1.1 (2) |
O2—Co1—N2—C6 | 13.7 (3) | Co1—N3—C15—C14 | −178.27 (11) |
O1—Co1—N2—C6 | 88.90 (10) | C11—N3—C15—C16 | −178.35 (13) |
N1—Co1—N2—C6 | −5.90 (10) | Co1—N3—C15—C16 | 2.24 (15) |
N4—Co1—N2—C6 | −101.19 (10) | C13—C14—C15—N3 | −0.5 (2) |
N3—Co1—N2—C6 | −178.53 (10) | C13—C14—C15—C16 | 178.97 (14) |
O2—Co1—N3—C11 | 89.93 (13) | C20—N4—C16—C17 | −0.4 (2) |
O1—Co1—N3—C11 | 0.38 (13) | Co1—N4—C16—C17 | 178.56 (11) |
N1—Co1—N3—C11 | −132.2 (2) | C20—N4—C16—C15 | 179.17 (12) |
N4—Co1—N3—C11 | 178.21 (13) | Co1—N4—C16—C15 | −1.83 (15) |
N2—Co1—N3—C11 | −88.22 (13) | N3—C15—C16—N4 | −0.27 (18) |
O2—Co1—N3—C15 | −90.71 (10) | C14—C15—C16—N4 | −179.75 (13) |
O1—Co1—N3—C15 | 179.74 (10) | N3—C15—C16—C17 | 179.33 (13) |
N1—Co1—N3—C15 | 47.1 (3) | C14—C15—C16—C17 | −0.2 (2) |
N4—Co1—N3—C15 | −2.43 (9) | N4—C16—C17—C18 | −1.4 (2) |
N2—Co1—N3—C15 | 91.13 (10) | C15—C16—C17—C18 | 179.06 (14) |
O2—Co1—N4—C20 | −85.53 (11) | C16—C17—C18—C19 | 1.5 (2) |
O1—Co1—N4—C20 | −166.9 (2) | C17—C18—C19—C20 | 0.0 (2) |
N1—Co1—N4—C20 | 9.10 (11) | C16—N4—C20—C19 | 2.1 (2) |
N3—Co1—N4—C20 | −178.82 (12) | Co1—N4—C20—C19 | −176.80 (11) |
N2—Co1—N4—C20 | 86.55 (11) | C18—C19—C20—N4 | −1.9 (2) |
O2—Co1—N4—C16 | 95.56 (9) | C24i—C22—C23—C24 | −1.0 (2) |
O1—Co1—N4—C16 | 14.2 (3) | C24i—C22—C23—C21 | 171.04 (12) |
N1—Co1—N4—C16 | −169.81 (9) | O3—C21—C23—C22 | 69.92 (16) |
N3—Co1—N4—C16 | 2.27 (9) | O2—C21—C23—C22 | −103.73 (14) |
N2—Co1—N4—C16 | −92.37 (10) | O3—C21—C23—C24 | −118.51 (15) |
C5—N1—C1—C2 | −0.8 (2) | O2—C21—C23—C24 | 67.84 (16) |
Co1—N1—C1—C2 | 174.81 (11) | C22—C23—C24—C22i | 1.0 (2) |
N1—C1—C2—C3 | −0.5 (2) | C21—C23—C24—C22i | −170.29 (12) |
C1—C2—C3—C4 | 0.8 (2) | C22—C23—C24—C25 | −174.43 (12) |
C2—C3—C4—C5 | 0.1 (2) | C21—C23—C24—C25 | 14.32 (19) |
C1—N1—C5—C4 | 1.8 (2) | C22i—C24—C25—O5 | −158.88 (12) |
Co1—N1—C5—C4 | −174.15 (11) | C23—C24—C25—O5 | 16.44 (19) |
C1—N1—C5—C6 | −179.30 (12) | C22i—C24—C25—O4 | 18.59 (18) |
Co1—N1—C5—C6 | 4.72 (15) | C23—C24—C25—O4 | −166.08 (12) |
C3—C4—C5—N1 | −1.5 (2) | O3—C21—O2—Co1 | −9.8 (2) |
C3—C4—C5—C6 | 179.74 (13) | C23—C21—O2—Co1 | 163.33 (8) |
C10—N2—C6—C7 | 2.1 (2) | O1—Co1—O2—C21 | −16.01 (11) |
Co1—N2—C6—C7 | −169.82 (11) | N1—Co1—O2—C21 | 78.26 (11) |
C10—N2—C6—C5 | −177.96 (12) | N4—Co1—O2—C21 | 174.40 (11) |
Co1—N2—C6—C5 | 10.14 (15) | N3—Co1—O2—C21 | −108.70 (11) |
N1—C5—C6—N2 | −9.94 (18) | N2—Co1—O2—C21 | 59.1 (3) |
C4—C5—C6—N2 | 168.92 (13) | | |
Symmetry code: (i) −x+1, −y+1, −z+2. |