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metal-organic compounds
In the crystal structure of the title compound, [Co2(C14H8O5)2(C12H8N2)2(H2O)2]n, the dianion functions as a bridging ligand, bonding through both carboxyl –CO2 end groups to link symmetry-related [Co(C12H8N2)(H2O)] entities into a ribbon structure.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805001558/lh6352sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805001558/lh6352Isup2.hkl |
CCDC reference: 263566
Key indicators
- Single-crystal X-ray study
- T = 295 K
- Mean (C-C) = 0.003 Å
- R factor = 0.034
- wR factor = 0.092
- Data-to-parameter ratio = 15.2
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.96 PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 2.00 Ratio PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 46.00 A 3 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 2
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion
Computing details top
Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.
Crystal data top
[Co2(C14H8O5)2(C12H8N2)2(H2O)2] | Z = 1 |
Mr = 1026.71 | F(000) = 526 |
Triclinic, P1 | Dx = 1.521 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 7.7129 (4) Å | Cell parameters from 5331 reflections |
b = 11.5063 (6) Å | θ = 2.5–28.3° |
c = 13.3854 (7) Å | µ = 0.81 mm−1 |
α = 82.614 (1)° | T = 295 K |
β = 83.165 (1)° | Prism, red |
γ = 72.724 (1)° | 0.34 × 0.27 × 0.23 mm |
V = 1120.8 (1) Å3 |
Data collection top
Bruker APEX CCD area-detector diffractometer | 4919 independent reflections |
Radiation source: fine-focus sealed tube | 4510 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.014 |
φ and ω scans | θmax = 27.5°, θmin = 1.9° |
Absorption correction: multi-scan (SADABS; Bruker, 2002) | h = −10→10 |
Tmin = 0.770, Tmax = 0.835 | k = −14→14 |
9587 measured reflections | l = −17→17 |
Refinement top
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)] = 0.034 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.092 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.03 | w = 1/[σ2(Fo2) + (0.0553P)2 + 0.3018P] where P = (Fo2 + 2Fc2)/3 |
4919 reflections | (Δ/σ)max = 0.001 |
324 parameters | Δρmax = 0.40 e Å−3 |
2 restraints | Δρmin = −0.30 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
Co1 | 0.68260 (3) | 0.38248 (2) | 0.98543 (2) | 0.02611 (9) | |
O1 | 0.6287 (2) | 0.3452 (1) | 0.8484 (1) | 0.0349 (3) | |
O2 | 0.8920 (2) | 0.3034 (1) | 0.7509 (1) | 0.0445 (3) | |
O3 | 0.3672 (2) | 0.1601 (2) | 0.4856 (1) | 0.0525 (4) | |
O4 | 0.2529 (2) | 0.2905 (1) | 0.0214 (1) | 0.0395 (3) | |
O5 | 0.4044 (2) | 0.4237 (1) | 0.0378 (1) | 0.0280 (2) | |
O1W | 0.9417 (2) | 0.3862 (1) | 0.9200 (1) | 0.0395 (3) | |
N1 | 0.7753 (2) | 0.3703 (1) | 1.1304 (1) | 0.0287 (3) | |
N2 | 0.7385 (2) | 0.1897 (1) | 1.0352 (1) | 0.0303 (3) | |
C1 | 0.7856 (3) | 0.4619 (2) | 1.1776 (1) | 0.0356 (4) | |
C2 | 0.8546 (3) | 0.4440 (2) | 1.2723 (2) | 0.0436 (5) | |
C3 | 0.9113 (3) | 0.3282 (2) | 1.3193 (2) | 0.0413 (4) | |
C4 | 0.8998 (2) | 0.2290 (2) | 1.2722 (1) | 0.0334 (4) | |
C5 | 0.9545 (3) | 0.1043 (2) | 1.3155 (2) | 0.0409 (4) | |
C6 | 0.9363 (3) | 0.0128 (2) | 1.2670 (2) | 0.0422 (5) | |
C7 | 0.8616 (2) | 0.0373 (2) | 1.1711 (2) | 0.0356 (4) | |
C8 | 0.8338 (3) | −0.0532 (2) | 1.1190 (2) | 0.0430 (5) | |
C9 | 0.7588 (3) | −0.0213 (2) | 1.0285 (2) | 0.0456 (5) | |
C10 | 0.7125 (3) | 0.1015 (2) | 0.9892 (2) | 0.0383 (4) | |
C11 | 0.8109 (2) | 0.1581 (2) | 1.1257 (1) | 0.0291 (3) | |
C12 | 0.8301 (2) | 0.2551 (2) | 1.1771 (1) | 0.0288 (3) | |
C13 | 0.7282 (2) | 0.3078 (2) | 0.7698 (1) | 0.0313 (4) | |
C14 | 0.6345 (2) | 0.2670 (2) | 0.6943 (1) | 0.0325 (4) | |
C15 | 0.4624 (3) | 0.2520 (2) | 0.7182 (1) | 0.0389 (4) | |
C16 | 0.3719 (3) | 0.2190 (2) | 0.6476 (1) | 0.0417 (4) | |
C17 | 0.4580 (3) | 0.1990 (2) | 0.5522 (1) | 0.0388 (4) | |
C18 | 0.6315 (3) | 0.2100 (2) | 0.5275 (2) | 0.0508 (5) | |
C19 | 0.7187 (3) | 0.2439 (2) | 0.5981 (1) | 0.0448 (5) | |
C20 | 0.3327 (2) | 0.3367 (2) | 0.0721 (1) | 0.0263 (3) | |
C21 | 0.3539 (2) | 0.2894 (2) | 0.1816 (1) | 0.0270 (3) | |
C22 | 0.3579 (3) | 0.1695 (2) | 0.2149 (1) | 0.0323 (4) | |
C23 | 0.3731 (3) | 0.1259 (2) | 0.3160 (1) | 0.0361 (4) | |
C24 | 0.3760 (3) | 0.2052 (2) | 0.3842 (1) | 0.0364 (4) | |
C25 | 0.3739 (3) | 0.3248 (2) | 0.3529 (1) | 0.0414 (5) | |
C26 | 0.3663 (3) | 0.3656 (2) | 0.2509 (1) | 0.0351 (4) | |
H1W1 | 0.950 (4) | 0.360 (2) | 0.863 (1) | 0.075 (9)* | |
H1W2 | 1.040 (2) | 0.357 (2) | 0.947 (2) | 0.054 (7)* | |
H1 | 0.7455 | 0.5412 | 1.1467 | 0.043* | |
H2 | 0.8617 | 0.5104 | 1.3030 | 0.052* | |
H3 | 0.9574 | 0.3152 | 1.3822 | 0.050* | |
H5 | 1.0033 | 0.0860 | 1.3778 | 0.049* | |
H6 | 0.9731 | −0.0673 | 1.2966 | 0.051* | |
H8 | 0.8664 | −0.1345 | 1.1461 | 0.052* | |
H9 | 0.7388 | −0.0803 | 0.9936 | 0.055* | |
H10 | 0.6609 | 0.1224 | 0.9276 | 0.046* | |
H15 | 0.4060 | 0.2642 | 0.7829 | 0.047* | |
H16 | 0.2555 | 0.2105 | 0.6642 | 0.050* | |
H18 | 0.6894 | 0.1946 | 0.4635 | 0.061* | |
H19 | 0.8357 | 0.2515 | 0.5812 | 0.054* | |
H22 | 0.3502 | 0.1176 | 0.1688 | 0.039* | |
H23 | 0.3812 | 0.0445 | 0.3374 | 0.043* | |
H25 | 0.3776 | 0.3772 | 0.3995 | 0.050* | |
H26 | 0.3695 | 0.4450 | 0.2288 | 0.042* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Co1 | 0.0297 (1) | 0.0245 (1) | 0.0245 (1) | −0.0072 (1) | −0.0059 (1) | −0.0016 (1) |
O1 | 0.0399 (7) | 0.0392 (7) | 0.0275 (6) | −0.0111 (5) | −0.0050 (5) | −0.0087 (5) |
O2 | 0.0381 (8) | 0.0598 (9) | 0.0365 (7) | −0.0118 (6) | −0.0032 (6) | −0.0127 (6) |
O3 | 0.0854 (12) | 0.0641 (10) | 0.0242 (7) | −0.0461 (9) | −0.0149 (7) | 0.0060 (6) |
O4 | 0.0517 (8) | 0.0378 (7) | 0.0361 (7) | −0.0194 (6) | −0.0213 (6) | 0.0023 (6) |
O5 | 0.0310 (6) | 0.0246 (6) | 0.0275 (6) | −0.0077 (5) | −0.0033 (5) | 0.0011 (5) |
O1W | 0.0309 (7) | 0.0523 (9) | 0.0366 (7) | −0.0117 (6) | −0.0064 (6) | −0.0059 (6) |
N1 | 0.0291 (7) | 0.0279 (7) | 0.0292 (7) | −0.0079 (6) | −0.0054 (6) | −0.0015 (6) |
N2 | 0.0322 (7) | 0.0270 (7) | 0.0309 (7) | −0.0063 (6) | −0.0050 (6) | −0.0032 (6) |
C1 | 0.041 (1) | 0.030 (1) | 0.038 (1) | −0.011 (1) | −0.009 (1) | −0.003 (1) |
C2 | 0.053 (1) | 0.044 (1) | 0.040 (1) | −0.017 (1) | −0.013 (1) | −0.010 (1) |
C3 | 0.043 (1) | 0.051 (1) | 0.031 (1) | −0.013 (1) | −0.013 (1) | −0.002 (1) |
C4 | 0.029 (1) | 0.039 (1) | 0.030 (1) | −0.009 (1) | −0.005 (1) | 0.001 (1) |
C5 | 0.038 (1) | 0.047 (1) | 0.034 (1) | −0.008 (1) | −0.010 (1) | 0.009 (1) |
C6 | 0.042 (1) | 0.033 (1) | 0.045 (1) | −0.004 (1) | −0.009 (1) | 0.010 (1) |
C7 | 0.034 (1) | 0.028 (1) | 0.040 (1) | −0.005 (1) | −0.002 (1) | 0.003 (1) |
C8 | 0.050 (1) | 0.025 (1) | 0.051 (1) | −0.008 (1) | −0.003 (1) | 0.001 (1) |
C9 | 0.059 (1) | 0.029 (1) | 0.052 (1) | −0.016 (1) | −0.007 (1) | −0.008 (1) |
C10 | 0.048 (1) | 0.032 (1) | 0.037 (1) | −0.012 (1) | −0.008 (1) | −0.005 (1) |
C11 | 0.026 (1) | 0.027 (1) | 0.032 (1) | −0.004 (1) | −0.002 (1) | −0.001 (1) |
C12 | 0.025 (1) | 0.030 (1) | 0.030 (1) | −0.006 (1) | −0.003 (1) | 0.000 (1) |
C13 | 0.038 (1) | 0.027 (1) | 0.027 (1) | −0.003 (1) | −0.007 (1) | −0.001 (1) |
C14 | 0.038 (1) | 0.031 (1) | 0.026 (1) | −0.005 (1) | −0.007 (1) | −0.001 (1) |
C15 | 0.049 (1) | 0.043 (1) | 0.026 (1) | −0.015 (1) | −0.001 (1) | −0.008 (1) |
C16 | 0.051 (1) | 0.048 (1) | 0.032 (1) | −0.024 (1) | −0.005 (1) | −0.002 (1) |
C17 | 0.056 (1) | 0.039 (1) | 0.025 (1) | −0.018 (1) | −0.012 (1) | 0.001 (1) |
C18 | 0.055 (1) | 0.076 (2) | 0.023 (1) | −0.019 (1) | −0.003 (1) | −0.010 (1) |
C19 | 0.040 (1) | 0.066 (1) | 0.028 (1) | −0.014 (1) | −0.005 (1) | −0.005 (1) |
C20 | 0.027 (1) | 0.024 (1) | 0.027 (1) | −0.004 (1) | −0.006 (1) | −0.001 (1) |
C21 | 0.026 (1) | 0.030 (1) | 0.026 (1) | −0.009 (1) | −0.006 (1) | −0.001 (1) |
C22 | 0.043 (1) | 0.029 (1) | 0.028 (1) | −0.013 (1) | −0.007 (1) | −0.003 (1) |
C23 | 0.048 (1) | 0.032 (1) | 0.030 (1) | −0.016 (1) | −0.009 (1) | 0.004 (1) |
C24 | 0.046 (1) | 0.045 (1) | 0.024 (1) | −0.020 (1) | −0.009 (1) | 0.002 (1) |
C25 | 0.062 (1) | 0.042 (1) | 0.029 (1) | −0.024 (1) | −0.010 (1) | −0.007 (1) |
C26 | 0.048 (1) | 0.030 (1) | 0.031 (1) | −0.017 (1) | −0.008 (1) | −0.001 (1) |
Geometric parameters (Å, º) top
Co1—O1 | 2.053 (1) | C14—C19 | 1.392 (3) |
Co1—O5i | 2.108 (1) | C15—C16 | 1.390 (3) |
Co1—O5ii | 2.122 (1) | C16—C17 | 1.380 (3) |
Co1—O1W | 2.094 (1) | C17—C18 | 1.379 (3) |
Co1—N1 | 2.121 (1) | C18—C19 | 1.379 (3) |
Co1—N2 | 2.161 (1) | C20—C21 | 1.506 (2) |
O1—C13 | 1.268 (2) | C21—C26 | 1.385 (2) |
O2—C13 | 1.246 (2) | C21—C22 | 1.386 (2) |
O3—C17 | 1.386 (2) | C22—C23 | 1.388 (2) |
O3—C24 | 1.391 (2) | C23—C24 | 1.377 (3) |
O4—C20 | 1.228 (2) | C24—C25 | 1.382 (3) |
O5—C20 | 1.292 (2) | C25—C26 | 1.388 (2) |
N1—C1 | 1.322 (2) | O1W—H1W1 | 0.85 (1) |
N1—C12 | 1.358 (2) | O1W—H1W2 | 0.84 (1) |
N2—C10 | 1.326 (2) | C1—H1 | 0.93 |
N2—C11 | 1.357 (2) | C2—H2 | 0.93 |
C1—C2 | 1.401 (3) | C3—H3 | 0.93 |
C2—C3 | 1.366 (3) | C5—H5 | 0.93 |
C3—C4 | 1.403 (3) | C6—H6 | 0.93 |
C4—C12 | 1.403 (2) | C8—H8 | 0.93 |
C4—C5 | 1.434 (3) | C9—H9 | 0.93 |
C5—C6 | 1.354 (3) | C10—H10 | 0.93 |
C6—C7 | 1.431 (3) | C15—H15 | 0.93 |
C7—C8 | 1.403 (3) | C16—H16 | 0.93 |
C7—C11 | 1.404 (2) | C18—H18 | 0.93 |
C8—C9 | 1.365 (3) | C19—H19 | 0.93 |
C9—C10 | 1.398 (3) | C22—H22 | 0.93 |
C11—C12 | 1.435 (2) | C23—H23 | 0.93 |
C13—C14 | 1.504 (2) | C25—H25 | 0.93 |
C14—C15 | 1.384 (3) | C26—H26 | 0.93 |
O1—Co1—O5i | 91.30 (5) | C18—C17—C16 | 120.8 (2) |
O1—Co1—O5ii | 98.51 (5) | C18—C17—O3 | 122.0 (2) |
O1—Co1—O1W | 88.10 (5) | C16—C17—O3 | 117.1 (2) |
O1—Co1—N1 | 164.66 (5) | C17—C18—C19 | 119.6 (2) |
O1—Co1—N2 | 88.34 (5) | C18—C19—C14 | 121.0 (2) |
O5i—Co1—O5ii | 77.47 (5) | O4—C20—O5 | 124.5 (2) |
O5i—Co1—O1W | 166.14 (5) | O4—C20—C21 | 119.3 (2) |
O5i—Co1—N1 | 94.90 (5) | O5—C20—C21 | 116.2 (1) |
O5i—Co1—N2 | 94.16 (5) | C26—C21—C22 | 119.0 (2) |
O5ii—Co1—O1W | 88.92 (5) | C26—C21—C20 | 120.5 (2) |
O5ii—Co1—N1 | 96.53 (5) | C22—C21—C20 | 120.5 (2) |
O5ii—Co1—N2 | 169.23 (5) | C21—C22—C23 | 120.9 (2) |
O1W—Co1—N1 | 89.18 (6) | C24—C23—C22 | 119.0 (2) |
O1W—Co1—N2 | 99.66 (6) | C23—C24—C25 | 121.2 (2) |
N1—Co1—N2 | 77.24 (6) | C23—C24—O3 | 115.9 (2) |
C13—O1—Co1 | 133.6 (1) | C25—C24—O3 | 122.7 (2) |
C17—O3—C24 | 119.1 (2) | C24—C25—C26 | 119.0 (2) |
C20—O5—Co1iii | 120.2 (1) | C21—C26—C25 | 120.8 (2) |
C20—O5—Co1ii | 137.3 (1) | Co1—O1W—H1W1 | 105 (2) |
Co1iii—O5—Co1ii | 102.53 (5) | Co1—O1W—H1W2 | 126 (2) |
C1—N1—C12 | 118.4 (2) | H1W1—O1W—H1W2 | 111 (3) |
C1—N1—Co1 | 126.8 (1) | N1—C1—H1 | 118.7 |
C12—N1—Co1 | 114.9 (1) | C2—C1—H1 | 118.7 |
C10—N2—C11 | 117.7 (2) | C3—C2—H2 | 120.3 |
C10—N2—Co1 | 128.8 (1) | C1—C2—H2 | 120.3 |
C11—N2—Co1 | 113.5 (1) | C2—C3—H3 | 120.1 |
N1—C1—C2 | 122.5 (2) | C4—C3—H3 | 120.1 |
C3—C2—C1 | 119.3 (2) | C6—C5—H5 | 119.5 |
C2—C3—C4 | 119.7 (2) | C4—C5—H5 | 119.5 |
C3—C4—C12 | 117.1 (2) | C5—C6—H6 | 119.4 |
C3—C4—C5 | 124.0 (2) | C7—C6—H6 | 119.4 |
C12—C4—C5 | 118.9 (2) | C9—C8—H8 | 120.1 |
C6—C5—C4 | 121.1 (2) | C7—C8—H8 | 120.1 |
C5—C6—C7 | 121.1 (2) | C8—C9—H9 | 120.5 |
C8—C7—C11 | 117.3 (2) | C10—C9—H9 | 120.5 |
C8—C7—C6 | 123.7 (2) | N2—C10—H10 | 118.4 |
C11—C7—C6 | 119.1 (2) | C9—C10—H10 | 118.4 |
C9—C8—C7 | 119.7 (2) | C14—C15—H15 | 119.3 |
C8—C9—C10 | 119.0 (2) | C16—C15—H15 | 119.3 |
N2—C10—C9 | 123.3 (2) | C17—C16—H16 | 120.6 |
N2—C11—C7 | 123.1 (2) | C15—C16—H16 | 120.6 |
N2—C11—C12 | 117.2 (1) | C17—C18—H18 | 120.2 |
C7—C11—C12 | 119.8 (2) | C19—C18—H18 | 120.2 |
N1—C12—C4 | 122.9 (2) | C18—C19—H19 | 119.5 |
N1—C12—C11 | 117.1 (2) | C14—C19—H19 | 119.5 |
C4—C12—C11 | 120.0 (2) | C21—C22—H22 | 119.5 |
O2—C13—O1 | 125.8 (2) | C23—C22—H22 | 119.5 |
O2—C13—C14 | 119.0 (2) | C24—C23—H23 | 120.5 |
O1—C13—C14 | 115.2 (2) | C22—C23—H23 | 120.5 |
C15—C14—C19 | 118.2 (2) | C24—C25—H25 | 120.5 |
C15—C14—C13 | 121.1 (2) | C26—C25—H25 | 120.5 |
C19—C14—C13 | 120.7 (2) | C21—C26—H26 | 119.6 |
C14—C15—C16 | 121.5 (2) | C25—C26—H26 | 119.6 |
C17—C16—C15 | 118.8 (2) | ||
O1W—Co1—O1—C13 | 16.7 (2) | C1—N1—C12—C4 | −1.1 (3) |
O5i—Co1—O1—C13 | −177.2 (2) | Co1—N1—C12—C4 | 178.4 (1) |
N1—Co1—O1—C13 | −63.2 (3) | C1—N1—C12—C11 | 177.7 (2) |
O5ii—Co1—O1—C13 | 105.3 (2) | Co1—N1—C12—C11 | −2.8 (2) |
N2—Co1—O1—C13 | −83.0 (2) | C3—C4—C12—N1 | 0.1 (3) |
O1—Co1—N1—C1 | 162.5 (2) | C5—C4—C12—N1 | −179.9 (2) |
O1W—Co1—N1—C1 | 82.8 (2) | C3—C4—C12—C11 | −178.6 (2) |
O5i—Co1—N1—C1 | −84.0 (2) | C5—C4—C12—C11 | 1.3 (3) |
O5ii—Co1—N1—C1 | −6.1 (2) | N2—C11—C12—N1 | −0.4 (2) |
N2—Co1—N1—C1 | −177.2 (2) | C7—C11—C12—N1 | −178.6 (2) |
O1—Co1—N1—C12 | −16.9 (3) | N2—C11—C12—C4 | 178.4 (2) |
O1W—Co1—N1—C12 | −96.7 (1) | C7—C11—C12—C4 | 0.2 (2) |
O5i—Co1—N1—C12 | 96.6 (1) | Co1—O1—C13—O2 | −13.3 (3) |
O5ii—Co1—N1—C12 | 174.5 (1) | Co1—O1—C13—C14 | 167.3 (1) |
N2—Co1—N1—C12 | 3.4 (1) | O2—C13—C14—C15 | 169.8 (2) |
O1—Co1—N2—C10 | −8.5 (2) | O1—C13—C14—C15 | −10.7 (2) |
O1W—Co1—N2—C10 | −96.2 (2) | O2—C13—C14—C19 | −10.5 (3) |
O5i—Co1—N2—C10 | 82.7 (2) | O1—C13—C14—C19 | 169.0 (2) |
N1—Co1—N2—C10 | 176.8 (2) | C19—C14—C15—C16 | −2.2 (3) |
O5ii—Co1—N2—C10 | 121.3 (3) | C13—C14—C15—C16 | 177.4 (2) |
O1—Co1—N2—C11 | 171.1 (1) | C14—C15—C16—C17 | 1.1 (3) |
O1W—Co1—N2—C11 | 83.3 (1) | C15—C16—C17—C18 | 0.8 (3) |
O5i—Co1—N2—C11 | −97.7 (1) | C15—C16—C17—O3 | 176.8 (2) |
N1—Co1—N2—C11 | −3.6 (1) | C24—O3—C17—C18 | −42.6 (3) |
O5ii—Co1—N2—C11 | −59.1 (3) | C24—O3—C17—C16 | 141.5 (2) |
C12—N1—C1—C2 | 1.5 (3) | C16—C17—C18—C19 | −1.4 (3) |
Co1—N1—C1—C2 | −177.9 (1) | O3—C17—C18—C19 | −177.2 (2) |
N1—C1—C2—C3 | −1.0 (3) | C17—C18—C19—C14 | 0.1 (4) |
C1—C2—C3—C4 | 0.0 (3) | C15—C14—C19—C18 | 1.6 (3) |
C2—C3—C4—C12 | 0.4 (3) | C13—C14—C19—C18 | −178.1 (2) |
C2—C3—C4—C5 | −179.6 (2) | Co1iii—O5—C20—O4 | −94.4 (2) |
C3—C4—C5—C6 | 178.6 (2) | Co1ii—O5—C20—O4 | 85.1 (2) |
C12—C4—C5—C6 | −1.4 (3) | Co1iii—O5—C20—C21 | 84.4 (2) |
C4—C5—C6—C7 | −0.1 (3) | Co1ii—O5—C20—C21 | −96.0 (2) |
C5—C6—C7—C8 | −177.8 (2) | O4—C20—C21—C26 | −151.5 (2) |
C5—C6—C7—C11 | 1.7 (3) | O5—C20—C21—C26 | 29.7 (2) |
C11—C7—C8—C9 | −0.6 (3) | O4—C20—C21—C22 | 27.3 (2) |
C6—C7—C8—C9 | 178.9 (2) | O5—C20—C21—C22 | −151.6 (2) |
C7—C8—C9—C10 | 0.5 (3) | C26—C21—C22—C23 | 0.3 (3) |
C11—N2—C10—C9 | −1.1 (3) | C20—C21—C22—C23 | −178.5 (2) |
Co1—N2—C10—C9 | 178.4 (2) | C21—C22—C23—C24 | 2.9 (3) |
C8—C9—C10—N2 | 0.3 (3) | C22—C23—C24—C25 | −3.5 (3) |
C10—N2—C11—C7 | 1.1 (3) | C22—C23—C24—O3 | 171.8 (2) |
Co1—N2—C11—C7 | −178.5 (1) | C17—O3—C24—C23 | 147.1 (2) |
C10—N2—C11—C12 | −177.0 (2) | C17—O3—C24—C25 | −37.7 (3) |
Co1—N2—C11—C12 | 3.4 (2) | C23—C24—C25—C26 | 0.9 (3) |
C8—C7—C11—N2 | −0.3 (3) | O3—C24—C25—C26 | −174.1 (2) |
C6—C7—C11—N2 | −179.8 (2) | C22—C21—C26—C25 | −3.0 (3) |
C8—C7—C11—C12 | 177.8 (2) | C20—C21—C26—C25 | 175.8 (2) |
C6—C7—C11—C12 | −1.7 (3) | C24—C25—C26—C21 | 2.4 (3) |
Symmetry codes: (i) x, y, z+1; (ii) −x+1, −y+1, −z+1; (iii) x, y, z−1. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O1W—H1W1···O2 | 0.85 (1) | 1.86 (2) | 2.675 (2) | 161 (3) |
O1W—H1W2···O4iv | 0.84 (1) | 1.93 (1) | 2.764 (2) | 175 (2) |
Symmetry code: (iv) x+1, y, z+1. |
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