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A new cobalt(II) coordination polymer (CP), poly[[bis[μ6-4-(4-carboxylatophenoxy)benzene-1,3-dicarboxylato-κ6O1:O1:O3:O3′:O4:O4′]bis(1,10-phenanthroline-κ2N,N′)tricobalt(II)] 0.72-hydrate], {[Co3(C15H7O7)2(C12H8N2)2]·0.72H2O}n, (I), is constructed from CoII ions and 4-(4-carboxyphenoxy)isophthalate (cpoia3−) and 1,10-phenanthroline (phen) ligands. Based on centrosymmetric trinuclear [Co3(phen)2(COO)6] secondary building units (SBUs), the structure of (I) is a three-dimensional CP with a (3,6)-connected net and point symbol (42.6)2(44.62.87.102). The positions of four [Co3(phen)2(COO)6] SBUs and four cpoia3− ligands reproduce a Chinese-knot-shaped arrangement along the ab plane. (I) has been characterized by single-crystal X-ray diffraction, IR spectroscopy, powder X-ray diffraction (PXRD) and thermostability analysis. It shows a good thermal stability from room temperature to 673 K. In addition, the temperature dependence of the magnetic properties was measured.
Supporting information
CCDC reference: 1862185
Data collection: APEX2 (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT (Bruker, 2000); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2016 (Sheldrick, 2015); molecular graphics: SHELXTL (Sheldrick, 2015) and DIAMOND (Brandenburg, 2005); software used to prepare material for publication: pubCIF (Westrip, 2010).
Poly[[bis[µ
6-4-(4-carboxylatophenoxy)benzene-1,3-dicarboxylato-
κ6O
1:O
1:O
3:O
3':O
4:O
4']bis(1,10-phenanthroline-
κ2N,N')tricobalt(II)]
0.72-hydrate]
top
Crystal data top
[Co3(C15H7O7)2(C12H8N2)2]·0.72H2O | F(000) = 2329 |
Mr = 1148.58 | Dx = 1.582 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
a = 18.889 (18) Å | Cell parameters from 5133 reflections |
b = 20.431 (17) Å | θ = 3.1–27.1° |
c = 13.360 (12) Å | µ = 1.10 mm−1 |
β = 110.73 (3)° | T = 200 K |
V = 4822 (8) Å3 | Block, purple |
Z = 4 | 0.15 × 0.10 × 0.10 mm |
Data collection top
Bruker APEXII CCD diffractometer | 3538 reflections with I > 2σ(I) |
φ and ω scans | Rint = 0.031 |
Absorption correction: multi-scan (SADABS; Bruker, 2000) | θmax = 25.4°, θmin = 3.1° |
Tmin = 0.669, Tmax = 0.748 | h = −22→21 |
14111 measured reflections | k = −24→24 |
4406 independent reflections | l = −16→15 |
Refinement top
Refinement on F2 | 12 restraints |
Least-squares matrix: full | Hydrogen site location: mixed |
R[F2 > 2σ(F2)] = 0.052 | H-atom parameters constrained |
wR(F2) = 0.158 | w = 1/[σ2(Fo2) + (0.0818P)2 + 21.9044P] where P = (Fo2 + 2Fc2)/3 |
S = 1.06 | (Δ/σ)max = 0.001 |
4406 reflections | Δρmax = 1.04 e Å−3 |
360 parameters | Δρmin = −1.37 e Å−3 |
Special details top
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Co1 | 0.750000 | 0.250000 | 0.500000 | 0.0315 (2) | |
Co2 | 0.68755 (3) | 0.36786 (3) | 0.62912 (4) | 0.02635 (19) | |
O1 | 0.72844 (18) | 0.42334 (14) | 0.5368 (3) | 0.0359 (7) | |
O2 | 0.75943 (19) | 0.34197 (14) | 0.4480 (3) | 0.0404 (8) | |
O3 | 0.91130 (17) | 0.57273 (14) | 0.2858 (2) | 0.0343 (7) | |
O4 | 1.15201 (17) | 0.78330 (14) | 0.5419 (2) | 0.0331 (7) | |
O5 | 1.0574 (2) | 0.85180 (14) | 0.4697 (3) | 0.0471 (9) | |
O6 | 0.78989 (17) | 0.65846 (17) | 0.2312 (3) | 0.0437 (8) | |
O7 | 0.83078 (19) | 0.73765 (17) | 0.1507 (3) | 0.0452 (8) | |
N1 | 0.65296 (19) | 0.45244 (18) | 0.6908 (3) | 0.0315 (8) | |
N2 | 0.6392 (2) | 0.3280 (2) | 0.7398 (3) | 0.0453 (10) | |
C1 | 0.7585 (2) | 0.40111 (19) | 0.4729 (3) | 0.0282 (9) | |
C2 | 0.7975 (2) | 0.44832 (19) | 0.4233 (3) | 0.0260 (8) | |
C3 | 0.8202 (2) | 0.4283 (2) | 0.3399 (3) | 0.0314 (9) | |
H3 | 0.809446 | 0.384949 | 0.312864 | 0.038* | |
C4 | 0.8582 (2) | 0.4704 (2) | 0.2960 (3) | 0.0308 (9) | |
H4 | 0.873337 | 0.456284 | 0.238839 | 0.037* | |
C5 | 0.8742 (2) | 0.5337 (2) | 0.3358 (3) | 0.0283 (9) | |
C6 | 0.8522 (3) | 0.5546 (2) | 0.4190 (4) | 0.0378 (11) | |
H6 | 0.863614 | 0.597776 | 0.446459 | 0.045* | |
C7 | 0.8135 (3) | 0.5119 (2) | 0.4620 (4) | 0.0350 (10) | |
H7 | 0.797697 | 0.526242 | 0.518463 | 0.042* | |
C8 | 0.8398 (3) | 0.6956 (2) | 0.2228 (4) | 0.0370 (10) | |
C9 | 0.9482 (2) | 0.62837 (19) | 0.3392 (3) | 0.0278 (9) | |
C10 | 0.9181 (2) | 0.6900 (2) | 0.3064 (3) | 0.0310 (9) | |
C11 | 0.9630 (2) | 0.74495 (19) | 0.3514 (4) | 0.0298 (9) | |
H11 | 0.944407 | 0.787523 | 0.327523 | 0.036* | |
C12 | 1.0342 (2) | 0.73805 (18) | 0.4301 (3) | 0.0239 (8) | |
C13 | 1.0608 (2) | 0.6749 (2) | 0.4632 (4) | 0.0320 (9) | |
H13 | 1.108808 | 0.669294 | 0.518018 | 0.038* | |
C14 | 1.0181 (2) | 0.6203 (2) | 0.4172 (4) | 0.0357 (10) | |
H14 | 1.037049 | 0.577586 | 0.439587 | 0.043* | |
C15 | 1.0836 (3) | 0.7954 (2) | 0.4813 (4) | 0.0314 (10) | |
C16 | 0.6329 (4) | 0.2654 (3) | 0.7639 (6) | 0.0711 (19) | |
H16 | 0.650415 | 0.232367 | 0.728266 | 0.085* | |
C17 | 0.6013 (5) | 0.2469 (4) | 0.8403 (7) | 0.096 (3) | |
H17 | 0.597290 | 0.202045 | 0.856201 | 0.115* | |
C18 | 0.5761 (5) | 0.2953 (4) | 0.8920 (6) | 0.091 (3) | |
H18 | 0.554217 | 0.283242 | 0.943393 | 0.110* | |
C19 | 0.5819 (3) | 0.3608 (4) | 0.8707 (5) | 0.0641 (18) | |
C20 | 0.6148 (3) | 0.3744 (3) | 0.7927 (4) | 0.0459 (13) | |
C21 | 0.5576 (3) | 0.4159 (4) | 0.9200 (5) | 0.073 (2) | |
H21 | 0.535233 | 0.407185 | 0.972101 | 0.087* | |
C22 | 0.5655 (3) | 0.4776 (4) | 0.8952 (5) | 0.0656 (18) | |
H22 | 0.549922 | 0.511674 | 0.931117 | 0.079* | |
C23 | 0.5966 (3) | 0.4937 (3) | 0.8161 (4) | 0.0511 (15) | |
C24 | 0.6220 (2) | 0.4415 (2) | 0.7665 (4) | 0.0372 (11) | |
C25 | 0.6040 (3) | 0.5585 (3) | 0.7825 (5) | 0.0583 (17) | |
H25 | 0.587257 | 0.594512 | 0.813244 | 0.070* | |
C26 | 0.6349 (3) | 0.5688 (3) | 0.7070 (5) | 0.0530 (14) | |
H26 | 0.640059 | 0.611960 | 0.684006 | 0.064* | |
C27 | 0.6595 (3) | 0.5147 (2) | 0.6629 (4) | 0.0399 (11) | |
H27 | 0.681802 | 0.522545 | 0.610491 | 0.048* | |
O8 | 0.7408 (14) | 0.6547 (12) | 0.5829 (19) | 0.078 (10) | 0.194 (13) |
H8A | 0.757868 | 0.651955 | 0.530904 | 0.118* | 0.194 (13) |
H8B | 0.735999 | 0.691929 | 0.605974 | 0.118* | 0.194 (13) |
O9 | 0.7889 (18) | 0.7014 (16) | 0.440 (2) | 0.090 (13) | 0.167 (14) |
H9A | 0.780653 | 0.703916 | 0.375778 | 0.135* | 0.167 (14) |
H9B | 0.830268 | 0.718036 | 0.471219 | 0.135* | 0.167 (14) |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Co1 | 0.0329 (5) | 0.0274 (4) | 0.0368 (5) | −0.0070 (3) | 0.0157 (4) | −0.0029 (3) |
Co2 | 0.0245 (3) | 0.0250 (3) | 0.0321 (3) | −0.0029 (2) | 0.0132 (2) | −0.0035 (2) |
O1 | 0.0418 (18) | 0.0296 (15) | 0.0444 (19) | −0.0078 (13) | 0.0253 (15) | −0.0011 (13) |
O2 | 0.050 (2) | 0.0265 (16) | 0.054 (2) | 0.0011 (13) | 0.0295 (17) | 0.0046 (14) |
O3 | 0.0345 (16) | 0.0332 (16) | 0.0384 (18) | −0.0144 (12) | 0.0170 (14) | −0.0042 (13) |
O4 | 0.0317 (17) | 0.0346 (16) | 0.0351 (17) | −0.0117 (12) | 0.0145 (14) | −0.0062 (13) |
O5 | 0.053 (2) | 0.0226 (15) | 0.078 (3) | −0.0060 (14) | 0.039 (2) | −0.0075 (15) |
O6 | 0.0268 (16) | 0.051 (2) | 0.047 (2) | −0.0064 (14) | 0.0054 (14) | 0.0055 (16) |
O7 | 0.0402 (19) | 0.050 (2) | 0.041 (2) | 0.0018 (15) | 0.0101 (16) | 0.0122 (16) |
N1 | 0.0227 (18) | 0.039 (2) | 0.0292 (19) | 0.0022 (14) | 0.0051 (15) | −0.0087 (16) |
N2 | 0.051 (3) | 0.049 (2) | 0.044 (2) | −0.0121 (19) | 0.026 (2) | −0.0014 (19) |
C1 | 0.023 (2) | 0.025 (2) | 0.035 (2) | −0.0008 (15) | 0.0087 (17) | 0.0028 (17) |
C2 | 0.022 (2) | 0.027 (2) | 0.028 (2) | −0.0019 (15) | 0.0075 (16) | 0.0037 (16) |
C3 | 0.034 (2) | 0.025 (2) | 0.036 (2) | −0.0037 (16) | 0.0125 (19) | 0.0002 (17) |
C4 | 0.031 (2) | 0.031 (2) | 0.032 (2) | −0.0030 (17) | 0.0145 (18) | 0.0002 (18) |
C5 | 0.022 (2) | 0.033 (2) | 0.029 (2) | −0.0083 (16) | 0.0068 (17) | 0.0048 (17) |
C6 | 0.044 (3) | 0.029 (2) | 0.044 (3) | −0.0116 (19) | 0.021 (2) | −0.0057 (19) |
C7 | 0.039 (3) | 0.034 (2) | 0.039 (3) | −0.0085 (18) | 0.023 (2) | −0.0059 (19) |
C8 | 0.033 (2) | 0.039 (2) | 0.040 (3) | 0.0047 (19) | 0.014 (2) | 0.009 (2) |
C9 | 0.024 (2) | 0.030 (2) | 0.031 (2) | −0.0096 (16) | 0.0117 (17) | −0.0021 (17) |
C10 | 0.025 (2) | 0.036 (2) | 0.031 (2) | −0.0029 (17) | 0.0099 (18) | 0.0069 (18) |
C11 | 0.031 (2) | 0.025 (2) | 0.039 (2) | 0.0045 (16) | 0.0181 (19) | 0.0078 (17) |
C12 | 0.025 (2) | 0.0241 (19) | 0.028 (2) | −0.0036 (15) | 0.0155 (17) | 0.0005 (16) |
C13 | 0.017 (2) | 0.031 (2) | 0.044 (3) | −0.0048 (16) | 0.0058 (18) | 0.0053 (19) |
C14 | 0.031 (2) | 0.024 (2) | 0.050 (3) | −0.0011 (17) | 0.011 (2) | 0.0078 (19) |
C15 | 0.040 (3) | 0.028 (2) | 0.037 (2) | −0.0108 (18) | 0.028 (2) | −0.0073 (18) |
C16 | 0.100 (5) | 0.060 (4) | 0.070 (4) | −0.023 (4) | 0.050 (4) | 0.001 (3) |
C17 | 0.133 (8) | 0.082 (5) | 0.090 (6) | −0.044 (5) | 0.062 (6) | 0.008 (4) |
C18 | 0.097 (6) | 0.133 (7) | 0.066 (5) | −0.048 (5) | 0.056 (4) | −0.008 (5) |
C19 | 0.048 (3) | 0.107 (5) | 0.047 (3) | −0.031 (3) | 0.028 (3) | −0.014 (3) |
C20 | 0.031 (3) | 0.076 (4) | 0.034 (3) | −0.013 (2) | 0.016 (2) | −0.013 (2) |
C21 | 0.031 (3) | 0.157 (7) | 0.037 (3) | −0.014 (4) | 0.020 (2) | −0.031 (4) |
C22 | 0.033 (3) | 0.114 (6) | 0.050 (4) | 0.001 (3) | 0.015 (3) | −0.031 (4) |
C23 | 0.017 (2) | 0.096 (4) | 0.034 (3) | 0.009 (2) | 0.0011 (19) | −0.027 (3) |
C24 | 0.019 (2) | 0.059 (3) | 0.030 (2) | 0.0006 (19) | 0.0042 (17) | −0.013 (2) |
C25 | 0.036 (3) | 0.063 (4) | 0.057 (4) | 0.022 (2) | −0.007 (3) | −0.029 (3) |
C26 | 0.049 (3) | 0.045 (3) | 0.053 (3) | 0.015 (2) | 0.002 (3) | −0.013 (2) |
C27 | 0.035 (2) | 0.038 (3) | 0.037 (3) | 0.0053 (19) | 0.002 (2) | −0.010 (2) |
O8 | 0.088 (16) | 0.075 (14) | 0.065 (14) | −0.001 (11) | 0.018 (11) | 0.005 (10) |
O9 | 0.085 (18) | 0.12 (2) | 0.070 (17) | −0.013 (14) | 0.029 (13) | −0.009 (13) |
Geometric parameters (Å, º) top
Co1—O2 | 2.033 (3) | C9—C14 | 1.372 (6) |
Co1—O2i | 2.033 (3) | C9—C10 | 1.388 (6) |
Co1—O7ii | 2.067 (4) | C10—C11 | 1.408 (6) |
Co1—O7iii | 2.067 (4) | C11—C12 | 1.391 (6) |
Co1—O4iv | 2.222 (3) | C11—H11 | 0.9500 |
Co1—O4v | 2.222 (3) | C12—C13 | 1.398 (6) |
Co2—O6ii | 2.005 (3) | C12—C15 | 1.502 (6) |
Co2—O1 | 2.019 (3) | C13—C14 | 1.386 (6) |
Co2—O4iv | 2.059 (3) | C13—H13 | 0.9500 |
Co2—N1 | 2.115 (4) | C14—H14 | 0.9500 |
Co2—N2 | 2.154 (4) | C16—C17 | 1.406 (9) |
O1—C1 | 1.264 (5) | C16—H16 | 0.9500 |
O2—C1 | 1.255 (5) | C17—C18 | 1.384 (12) |
O3—C5 | 1.379 (5) | C17—H17 | 0.9500 |
O3—C9 | 1.391 (5) | C18—C19 | 1.381 (11) |
O4—C15 | 1.283 (6) | C18—H18 | 0.9500 |
O5—C15 | 1.242 (5) | C19—C20 | 1.416 (7) |
O6—C8 | 1.246 (6) | C19—C21 | 1.458 (10) |
O7—C8 | 1.256 (5) | C20—C24 | 1.434 (7) |
N1—C27 | 1.343 (6) | C21—C22 | 1.325 (10) |
N1—C24 | 1.354 (6) | C21—H21 | 0.9500 |
N2—C16 | 1.335 (7) | C22—C23 | 1.418 (9) |
N2—C20 | 1.356 (7) | C22—H22 | 0.9500 |
C1—C2 | 1.503 (5) | C23—C25 | 1.420 (9) |
C2—C3 | 1.390 (6) | C23—C24 | 1.426 (7) |
C2—C7 | 1.392 (6) | C25—C26 | 1.349 (9) |
C3—C4 | 1.377 (6) | C25—H25 | 0.9500 |
C3—H3 | 0.9500 | C26—C27 | 1.407 (7) |
C4—C5 | 1.391 (6) | C26—H26 | 0.9500 |
C4—H4 | 0.9500 | C27—H27 | 0.9500 |
C5—C6 | 1.385 (6) | O8—H8A | 0.8655 |
C6—C7 | 1.387 (6) | O8—H8B | 0.8370 |
C6—H6 | 0.9500 | O9—H9A | 0.8177 |
C7—H7 | 0.9500 | O9—H9B | 0.8185 |
C8—C10 | 1.510 (6) | | |
| | | |
O2—Co1—O2i | 180.00 (6) | O6—C8—C10 | 117.5 (4) |
O2—Co1—O7ii | 95.53 (14) | O7—C8—C10 | 116.8 (4) |
O2i—Co1—O7ii | 84.47 (14) | C14—C9—C10 | 121.7 (4) |
O2—Co1—O7iii | 84.47 (14) | C14—C9—O3 | 117.6 (4) |
O2i—Co1—O7iii | 95.53 (14) | C10—C9—O3 | 120.3 (4) |
O7ii—Co1—O7iii | 180.0 | C9—C10—C11 | 118.1 (4) |
O2—Co1—O4iv | 89.12 (12) | C9—C10—C8 | 119.2 (4) |
O2i—Co1—O4iv | 90.87 (12) | C11—C10—C8 | 122.7 (4) |
O7ii—Co1—O4iv | 96.36 (14) | C12—C11—C10 | 121.2 (4) |
O7iii—Co1—O4iv | 83.64 (14) | C12—C11—H11 | 119.4 |
O2—Co1—O4v | 90.88 (12) | C10—C11—H11 | 119.4 |
O2i—Co1—O4v | 89.13 (12) | C11—C12—C13 | 118.4 (4) |
O7ii—Co1—O4v | 83.64 (14) | C11—C12—C15 | 122.9 (4) |
O7iii—Co1—O4v | 96.36 (14) | C13—C12—C15 | 118.7 (4) |
O4iv—Co1—O4v | 180.0 | C14—C13—C12 | 121.0 (4) |
O6ii—Co2—O1 | 94.65 (15) | C14—C13—H13 | 119.5 |
O6ii—Co2—O4iv | 101.70 (14) | C12—C13—H13 | 119.5 |
O1—Co2—O4iv | 104.11 (13) | C9—C14—C13 | 119.5 (4) |
O6ii—Co2—N1 | 108.09 (14) | C9—C14—H14 | 120.3 |
O1—Co2—N1 | 90.99 (15) | C13—C14—H14 | 120.3 |
O4iv—Co2—N1 | 145.31 (13) | O5—C15—O4 | 121.6 (4) |
O6ii—Co2—N2 | 88.45 (17) | O5—C15—C12 | 120.8 (4) |
O1—Co2—N2 | 168.05 (15) | O4—C15—C12 | 117.5 (4) |
O4iv—Co2—N2 | 86.50 (15) | N2—C16—C17 | 122.0 (7) |
N1—Co2—N2 | 77.08 (16) | N2—C16—H16 | 119.0 |
C1—O1—Co2 | 124.8 (3) | C17—C16—H16 | 119.0 |
C1—O2—Co1 | 142.0 (3) | C18—C17—C16 | 118.7 (7) |
C5—O3—C9 | 118.2 (3) | C18—C17—H17 | 120.6 |
C15—O4—Co2vi | 104.5 (3) | C16—C17—H17 | 120.6 |
C15—O4—Co1vi | 130.0 (3) | C19—C18—C17 | 121.5 (6) |
Co2vi—O4—Co1vi | 105.41 (13) | C19—C18—H18 | 119.2 |
C8—O6—Co2vii | 132.9 (3) | C17—C18—H18 | 119.2 |
C8—O7—Co1viii | 133.1 (3) | C18—C19—C20 | 115.4 (6) |
C27—N1—C24 | 118.0 (4) | C18—C19—C21 | 126.4 (6) |
C27—N1—Co2 | 126.4 (3) | C20—C19—C21 | 118.2 (6) |
C24—N1—Co2 | 115.5 (3) | N2—C20—C19 | 124.5 (5) |
C16—N2—C20 | 117.9 (5) | N2—C20—C24 | 117.5 (4) |
C16—N2—Co2 | 128.5 (4) | C19—C20—C24 | 118.1 (5) |
C20—N2—Co2 | 113.5 (3) | C22—C21—C19 | 122.7 (6) |
O2—C1—O1 | 125.2 (4) | C22—C21—H21 | 118.7 |
O2—C1—C2 | 116.4 (4) | C19—C21—H21 | 118.7 |
O1—C1—C2 | 118.3 (4) | C21—C22—C23 | 121.4 (6) |
C3—C2—C7 | 119.0 (4) | C21—C22—H22 | 119.3 |
C3—C2—C1 | 120.2 (4) | C23—C22—H22 | 119.3 |
C7—C2—C1 | 120.7 (4) | C22—C23—C25 | 124.5 (5) |
C4—C3—C2 | 120.8 (4) | C22—C23—C24 | 117.9 (6) |
C4—C3—H3 | 119.6 | C25—C23—C24 | 117.6 (5) |
C2—C3—H3 | 119.6 | N1—C24—C23 | 122.0 (5) |
C3—C4—C5 | 119.6 (4) | N1—C24—C20 | 116.3 (4) |
C3—C4—H4 | 120.2 | C23—C24—C20 | 121.7 (5) |
C5—C4—H4 | 120.2 | C26—C25—C23 | 119.9 (5) |
O3—C5—C6 | 123.9 (4) | C26—C25—H25 | 120.0 |
O3—C5—C4 | 115.6 (4) | C23—C25—H25 | 120.0 |
C6—C5—C4 | 120.5 (4) | C25—C26—C27 | 119.0 (5) |
C5—C6—C7 | 119.4 (4) | C25—C26—H26 | 120.5 |
C5—C6—H6 | 120.3 | C27—C26—H26 | 120.5 |
C7—C6—H6 | 120.3 | N1—C27—C26 | 123.5 (5) |
C6—C7—C2 | 120.7 (4) | N1—C27—H27 | 118.3 |
C6—C7—H7 | 119.7 | C26—C27—H27 | 118.3 |
C2—C7—H7 | 119.7 | H8A—O8—H8B | 118.3 |
O6—C8—O7 | 125.7 (4) | H9A—O9—H9B | 107.5 |
| | | |
Co1—O2—C1—O1 | −21.6 (8) | Co1vi—O4—C15—O5 | −112.1 (4) |
Co1—O2—C1—C2 | 157.4 (3) | Co2vi—O4—C15—C12 | −163.1 (3) |
Co2—O1—C1—O2 | 8.8 (6) | Co1vi—O4—C15—C12 | 71.8 (4) |
Co2—O1—C1—C2 | −170.2 (3) | C11—C12—C15—O5 | 13.3 (6) |
O2—C1—C2—C3 | 11.5 (6) | C13—C12—C15—O5 | −166.4 (4) |
O1—C1—C2—C3 | −169.4 (4) | C11—C12—C15—O4 | −170.5 (4) |
O2—C1—C2—C7 | −166.4 (4) | C13—C12—C15—O4 | 9.7 (5) |
O1—C1—C2—C7 | 12.6 (6) | C20—N2—C16—C17 | 0.9 (10) |
C7—C2—C3—C4 | 0.1 (6) | Co2—N2—C16—C17 | 178.5 (6) |
C1—C2—C3—C4 | −177.9 (4) | N2—C16—C17—C18 | −0.1 (13) |
C2—C3—C4—C5 | 0.2 (6) | C16—C17—C18—C19 | −0.5 (13) |
C9—O3—C5—C6 | 19.5 (6) | C17—C18—C19—C20 | 0.3 (11) |
C9—O3—C5—C4 | −161.5 (4) | C17—C18—C19—C21 | −179.8 (7) |
C3—C4—C5—O3 | −179.0 (4) | C16—N2—C20—C19 | −1.1 (8) |
C3—C4—C5—C6 | 0.0 (6) | Co2—N2—C20—C19 | −179.0 (4) |
O3—C5—C6—C7 | 178.4 (4) | C16—N2—C20—C24 | 179.7 (5) |
C4—C5—C6—C7 | −0.5 (7) | Co2—N2—C20—C24 | 1.8 (6) |
C5—C6—C7—C2 | 0.9 (7) | C18—C19—C20—N2 | 0.5 (9) |
C3—C2—C7—C6 | −0.7 (7) | C21—C19—C20—N2 | −179.4 (5) |
C1—C2—C7—C6 | 177.3 (4) | C18—C19—C20—C24 | 179.7 (6) |
Co2vii—O6—C8—O7 | 16.0 (8) | C21—C19—C20—C24 | −0.2 (8) |
Co2vii—O6—C8—C10 | −164.0 (3) | C18—C19—C21—C22 | 179.8 (7) |
Co1viii—O7—C8—O6 | −19.6 (8) | C20—C19—C21—C22 | −0.4 (9) |
Co1viii—O7—C8—C10 | 160.5 (3) | C19—C21—C22—C23 | 1.7 (9) |
C5—O3—C9—C14 | 79.7 (5) | C21—C22—C23—C25 | 177.5 (5) |
C5—O3—C9—C10 | −106.6 (5) | C21—C22—C23—C24 | −2.3 (8) |
C14—C9—C10—C11 | 3.3 (6) | C27—N1—C24—C23 | 0.1 (6) |
O3—C9—C10—C11 | −170.1 (4) | Co2—N1—C24—C23 | 179.5 (3) |
C14—C9—C10—C8 | −177.9 (4) | C27—N1—C24—C20 | 178.9 (4) |
O3—C9—C10—C8 | 8.7 (6) | Co2—N1—C24—C20 | −1.7 (5) |
O6—C8—C10—C9 | 42.8 (6) | C22—C23—C24—N1 | −179.5 (4) |
O7—C8—C10—C9 | −137.3 (4) | C25—C23—C24—N1 | 0.7 (6) |
O6—C8—C10—C11 | −138.5 (5) | C22—C23—C24—C20 | 1.8 (7) |
O7—C8—C10—C11 | 41.4 (6) | C25—C23—C24—C20 | −178.1 (4) |
C9—C10—C11—C12 | −2.9 (6) | N2—C20—C24—N1 | −0.1 (6) |
C8—C10—C11—C12 | 178.4 (4) | C19—C20—C24—N1 | −179.3 (4) |
C10—C11—C12—C13 | 0.6 (6) | N2—C20—C24—C23 | 178.7 (4) |
C10—C11—C12—C15 | −179.1 (4) | C19—C20—C24—C23 | −0.5 (7) |
C11—C12—C13—C14 | 1.4 (6) | C22—C23—C25—C26 | 179.6 (5) |
C15—C12—C13—C14 | −178.9 (4) | C24—C23—C25—C26 | −0.6 (7) |
C10—C9—C14—C13 | −1.4 (7) | C23—C25—C26—C27 | −0.1 (7) |
O3—C9—C14—C13 | 172.1 (4) | C24—N1—C27—C26 | −0.9 (6) |
C12—C13—C14—C9 | −1.0 (7) | Co2—N1—C27—C26 | 179.8 (3) |
Co2vi—O4—C15—O5 | 13.0 (5) | C25—C26—C27—N1 | 0.9 (7) |
Symmetry codes: (i) −x+3/2, −y+1/2, −z+1; (ii) x, −y+1, z+1/2; (iii) −x+3/2, y−1/2, −z+1/2; (iv) x−1/2, y−1/2, z; (v) −x+2, −y+1, −z+1; (vi) x+1/2, y+1/2, z; (vii) x, −y+1, z−1/2; (viii) −x+3/2, y+1/2, −z+1/2. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
C6—H6···O9 | 0.95 | 2.53 | 3.28 (3) | 136 |
C27—H27···O1 | 0.95 | 2.54 | 3.094 (6) | 117 |
O8—H8A···O9 | 0.87 | 1.83 | 2.57 (4) | 143 |
O8—H8B···O9ix | 0.84 | 2.27 | 2.99 (4) | 144 |
O9—H9A···O6 | 0.82 | 2.20 | 2.93 (3) | 148 |
Symmetry code: (ix) −x+3/2, −y+3/2, −z+1. |
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