| Literature DB >> 21589292 |
Feng Sun1.
Abstract
The asymmetric unit of the title compound, {[CoEr(2)(C(5)H(2)N(2)O(4))(2)(SO(4))(2)(H(2)O)(4)]·H(2)O}(n), contains a Co(II) ion, two Er(III) ions, two imidazole-4,5-dicarboxyl-ate (imdc) ligands, two SO(4) (2-) anions, four coordinated water mol-ecules and one uncoordinated water mol-ecule. The Co(II) ion is six-coordinated by two O atoms from two coordinated water mol-ecules and two O atoms and two N atoms from two imdc ligands in a slightly distorted octa-hedral geometry. Both Er(III) ions are eight-coordinated in a bicapped trigonal-prismatic coordination geometry. One Er(III) ion is coordinated by four O atoms from two imidazole-4,5-dicarboxyl-ate ligands, three O atoms from three SO(4) (2-) anions and one water O atom; the other Er(III) ion is bonded to five O atoms from three imdc ligands, two O atoms from two SO(4) (2-) anions as well as one coordinated water mol-ecule. The coordinated metal units are connected by bridging imdc ligands and sulfate ions, generating a two-dimensional heterometallic layer. The two-dimensional layers are stacked along the b axis via N-H⋯O, O-H⋯O and C-H⋯O hydrogen-bonding inter-actions between water mol-ecules, SO(4) (2-) anions, and imdc ligands, generating a three-dimensional framework.Entities:
Year: 2010 PMID: 21589292 PMCID: PMC3011513 DOI: 10.1107/S1600536810047203
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [CoEr2(C5H2N2O4)2(SO4)2(H2O)4]·H2O | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 4400 reflections | |
| θ = 2.4–28.0° | |
| µ = 8.12 mm−1 | |
| α = 92.955 (1)° | |
| β = 97.054 (1)° | Block, red |
| γ = 108.612 (1)° | 0.20 × 0.18 × 0.15 mm |
| Bruker APEXII area-detector diffractometer | 4123 independent reflections |
| Radiation source: fine-focus sealed tube | 3820 reflections with |
| graphite | |
| φ and ω scan | θmax = 25.2°, θmin = 1.6° |
| Absorption correction: multi-scan ( | |
| 6026 measured reflections |
| Refinement on | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H atoms treated by a mixture of independent and constrained refinement | |
| 4123 reflections | (Δ/σ)max = 0.001 |
| 397 parameters | Δρmax = 0.87 e Å−3 |
| 12 restraints | Δρmin = −1.35 e Å−3 |
| 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 |
| Er1 | −0.09070 (2) | 0.049642 (19) | 0.366467 (14) | 0.01288 (7) | |
| Er2 | −0.37193 (2) | 0.088827 (18) | −0.105666 (14) | 0.01193 (7) | |
| Co1 | 0.34879 (7) | 0.28628 (6) | 0.27282 (4) | 0.01585 (14) | |
| S1 | −0.22681 (13) | −0.07707 (11) | 0.09734 (8) | 0.0129 (2) | |
| S2 | −0.07687 (14) | −0.27513 (11) | 0.40191 (9) | 0.0170 (2) | |
| C1 | 0.4802 (5) | 0.0827 (4) | 0.6454 (3) | 0.0145 (9) | |
| C2 | 0.5054 (5) | 0.1537 (4) | 0.5507 (3) | 0.0152 (9) | |
| C3 | 0.6350 (6) | 0.2989 (5) | 0.4510 (4) | 0.0212 (10) | |
| H3 | 0.7175 | 0.3621 | 0.4271 | 0.025* | |
| C4 | 0.4062 (5) | 0.1634 (4) | 0.4630 (3) | 0.0150 (9) | |
| C5 | 0.2387 (5) | 0.1004 (4) | 0.4232 (3) | 0.0144 (9) | |
| C6 | 0.5165 (5) | 0.1950 (4) | 0.1209 (3) | 0.0144 (9) | |
| C7 | 0.5691 (6) | 0.3402 (5) | 0.1209 (4) | 0.0177 (10) | |
| C8 | 0.5776 (6) | 0.5343 (5) | 0.1817 (4) | 0.0235 (11) | |
| H8 | 0.5609 | 0.6028 | 0.2209 | 0.028* | |
| C9 | 0.6679 (6) | 0.4298 (4) | 0.0658 (4) | 0.0196 (10) | |
| C10 | 0.7520 (6) | 0.4192 (5) | −0.0250 (4) | 0.0218 (11) | |
| N1 | 0.6495 (5) | 0.2411 (4) | 0.5397 (3) | 0.0190 (9) | |
| N2 | 0.4904 (5) | 0.2554 (4) | 0.4025 (3) | 0.0169 (8) | |
| N3 | 0.5133 (5) | 0.4078 (4) | 0.1927 (3) | 0.0189 (9) | |
| N4 | 0.6703 (5) | 0.5521 (4) | 0.1067 (3) | 0.0249 (9) | |
| O1 | −0.2200 (4) | 0.0083 (3) | 0.0104 (2) | 0.0208 (7) | |
| O2 | −0.3866 (4) | −0.1266 (3) | 0.1256 (3) | 0.0224 (7) | |
| O3 | −0.1750 (4) | −0.1884 (3) | 0.0667 (3) | 0.0245 (8) | |
| O4 | −0.1162 (4) | 0.0023 (3) | 0.1883 (2) | 0.0229 (8) | |
| O5 | −0.1393 (4) | −0.1746 (3) | 0.3560 (2) | 0.0218 (7) | |
| O6 | −0.1995 (5) | −0.4018 (4) | 0.3964 (3) | 0.0407 (10) | |
| O7 | −0.0089 (4) | −0.2307 (3) | 0.5147 (2) | 0.0235 (8) | |
| O8 | 0.0526 (4) | −0.2828 (4) | 0.3446 (3) | 0.0278 (8) | |
| O9 | 0.1450 (4) | 0.0157 (3) | 0.4693 (2) | 0.0171 (7) | |
| O10 | 0.1848 (4) | 0.1367 (3) | 0.3383 (2) | 0.0182 (7) | |
| O11 | 0.3504 (4) | −0.0057 (3) | 0.6478 (2) | 0.0183 (7) | |
| O12 | 0.5935 (4) | 0.1177 (3) | 0.7192 (2) | 0.0235 (8) | |
| O13 | 0.4190 (4) | 0.1442 (3) | 0.1823 (2) | 0.0178 (7) | |
| O14 | 0.5640 (4) | 0.1192 (3) | 0.0648 (2) | 0.0164 (7) | |
| O15 | 0.7324 (5) | 0.3048 (3) | −0.0682 (3) | 0.0322 (9) | |
| O16 | 0.8340 (5) | 0.5232 (3) | −0.0549 (3) | 0.0367 (10) | |
| H2 | 0.726 (7) | 0.631 (3) | 0.097 (5) | 0.055* | |
| H1 | 0.739 (4) | 0.250 (6) | 0.576 (5) | 0.055* | |
| O1W | −0.1359 (4) | 0.1275 (4) | −0.1711 (3) | 0.0261 (8) | |
| H1W | −0.120 (7) | 0.159 (6) | −0.227 (3) | 0.039* | |
| H2W | −0.050 (4) | 0.140 (6) | −0.135 (4) | 0.039* | |
| O2W | 0.1566 (5) | 0.2533 (4) | 0.1512 (3) | 0.0285 (8) | |
| H3W | 0.164 (8) | 0.320 (4) | 0.122 (4) | 0.043* | |
| H4W | 0.121 (7) | 0.182 (3) | 0.118 (4) | 0.043* | |
| O3W | 0.2893 (6) | 0.4288 (4) | 0.3606 (3) | 0.0376 (10) | |
| H5W | 0.226 (7) | 0.456 (7) | 0.326 (5) | 0.056* | |
| H6W | 0.290 (9) | 0.416 (7) | 0.422 (2) | 0.056* | |
| O4W | −0.1271 (5) | 0.2319 (4) | 0.2783 (3) | 0.0366 (10) | |
| H7W | −0.072 (7) | 0.310 (3) | 0.286 (5) | 0.055* | |
| H8W | −0.106 (8) | 0.223 (7) | 0.220 (3) | 0.055* | |
| O5W | 0.0527 (6) | 0.4842 (4) | 0.2458 (3) | 0.0433 (11) | |
| H9W | 0.044 (9) | 0.557 (4) | 0.269 (5) | 0.065* | |
| H10W | 0.079 (9) | 0.499 (7) | 0.185 (3) | 0.065* |
| Er1 | 0.01014 (12) | 0.01703 (11) | 0.01108 (11) | 0.00352 (8) | 0.00105 (8) | 0.00507 (8) |
| Er2 | 0.01019 (12) | 0.01510 (11) | 0.01112 (11) | 0.00425 (8) | 0.00202 (8) | 0.00503 (8) |
| Co1 | 0.0167 (3) | 0.0187 (3) | 0.0132 (3) | 0.0060 (3) | 0.0037 (2) | 0.0058 (2) |
| S1 | 0.0105 (6) | 0.0177 (5) | 0.0113 (5) | 0.0056 (4) | 0.0012 (4) | 0.0046 (4) |
| S2 | 0.0165 (6) | 0.0160 (5) | 0.0170 (5) | 0.0042 (5) | −0.0009 (5) | 0.0020 (4) |
| C1 | 0.014 (2) | 0.024 (2) | 0.010 (2) | 0.013 (2) | 0.0026 (18) | 0.0040 (18) |
| C2 | 0.009 (2) | 0.021 (2) | 0.015 (2) | 0.0033 (19) | 0.0025 (18) | 0.0037 (18) |
| C3 | 0.017 (3) | 0.025 (3) | 0.021 (2) | 0.003 (2) | 0.005 (2) | 0.010 (2) |
| C4 | 0.017 (3) | 0.021 (2) | 0.009 (2) | 0.007 (2) | 0.0039 (18) | 0.0029 (17) |
| C5 | 0.013 (2) | 0.021 (2) | 0.012 (2) | 0.0077 (19) | 0.0023 (18) | 0.0007 (18) |
| C6 | 0.010 (2) | 0.018 (2) | 0.013 (2) | 0.0030 (19) | −0.0023 (18) | 0.0039 (18) |
| C7 | 0.015 (2) | 0.019 (2) | 0.018 (2) | 0.0043 (19) | 0.0024 (19) | 0.0044 (18) |
| C8 | 0.031 (3) | 0.018 (2) | 0.023 (2) | 0.007 (2) | 0.011 (2) | 0.0044 (19) |
| C9 | 0.020 (3) | 0.016 (2) | 0.021 (2) | 0.003 (2) | 0.004 (2) | 0.0038 (19) |
| C10 | 0.022 (3) | 0.019 (2) | 0.023 (2) | 0.003 (2) | 0.009 (2) | 0.006 (2) |
| N1 | 0.008 (2) | 0.026 (2) | 0.0180 (19) | 0.0005 (17) | −0.0027 (16) | 0.0045 (17) |
| N2 | 0.014 (2) | 0.021 (2) | 0.0164 (19) | 0.0049 (16) | 0.0034 (16) | 0.0049 (16) |
| N3 | 0.023 (2) | 0.016 (2) | 0.0168 (19) | 0.0049 (17) | 0.0050 (17) | 0.0012 (15) |
| N4 | 0.030 (3) | 0.016 (2) | 0.027 (2) | 0.0035 (19) | 0.0112 (19) | 0.0055 (18) |
| O1 | 0.0156 (18) | 0.0305 (19) | 0.0197 (16) | 0.0097 (15) | 0.0039 (14) | 0.0155 (14) |
| O2 | 0.0127 (18) | 0.0340 (19) | 0.0241 (17) | 0.0097 (15) | 0.0060 (14) | 0.0164 (15) |
| O3 | 0.028 (2) | 0.0163 (17) | 0.0333 (19) | 0.0085 (15) | 0.0146 (16) | 0.0047 (14) |
| O4 | 0.0192 (19) | 0.0291 (19) | 0.0143 (16) | 0.0004 (15) | −0.0006 (14) | 0.0032 (14) |
| O5 | 0.0226 (19) | 0.0201 (17) | 0.0219 (17) | 0.0079 (15) | −0.0028 (14) | 0.0022 (14) |
| O6 | 0.030 (2) | 0.023 (2) | 0.054 (3) | −0.0059 (17) | −0.0115 (19) | 0.0110 (18) |
| O7 | 0.034 (2) | 0.0225 (18) | 0.0148 (16) | 0.0116 (16) | 0.0009 (15) | 0.0048 (13) |
| O8 | 0.026 (2) | 0.044 (2) | 0.0189 (17) | 0.0186 (17) | 0.0052 (15) | 0.0015 (15) |
| O9 | 0.0104 (16) | 0.0256 (18) | 0.0136 (15) | 0.0025 (14) | 0.0031 (13) | 0.0080 (13) |
| O10 | 0.0124 (17) | 0.0270 (18) | 0.0146 (15) | 0.0044 (14) | 0.0032 (13) | 0.0082 (13) |
| O11 | 0.0102 (17) | 0.0265 (18) | 0.0170 (16) | 0.0035 (14) | 0.0018 (13) | 0.0079 (13) |
| O12 | 0.0103 (17) | 0.038 (2) | 0.0179 (16) | 0.0024 (15) | −0.0020 (14) | 0.0098 (15) |
| O13 | 0.0208 (18) | 0.0150 (16) | 0.0169 (15) | 0.0024 (14) | 0.0082 (14) | 0.0045 (13) |
| O14 | 0.0190 (18) | 0.0136 (15) | 0.0161 (15) | 0.0036 (13) | 0.0051 (13) | 0.0014 (12) |
| O15 | 0.041 (2) | 0.0173 (18) | 0.036 (2) | 0.0022 (16) | 0.0194 (18) | 0.0018 (15) |
| O16 | 0.050 (3) | 0.0216 (19) | 0.040 (2) | 0.0056 (18) | 0.026 (2) | 0.0105 (16) |
| O1W | 0.0148 (19) | 0.046 (2) | 0.0222 (18) | 0.0137 (17) | 0.0050 (15) | 0.0139 (17) |
| O2W | 0.032 (2) | 0.030 (2) | 0.0228 (19) | 0.0108 (19) | −0.0028 (16) | 0.0054 (16) |
| O3W | 0.052 (3) | 0.035 (2) | 0.031 (2) | 0.024 (2) | 0.001 (2) | 0.0002 (18) |
| O4W | 0.047 (3) | 0.025 (2) | 0.033 (2) | 0.0063 (19) | −0.001 (2) | 0.0113 (18) |
| O5W | 0.063 (3) | 0.035 (2) | 0.043 (2) | 0.025 (2) | 0.025 (2) | 0.009 (2) |
| Er1—O11i | 2.227 (3) | C3—H3 | 0.9300 |
| Er1—O7i | 2.268 (3) | C4—N2 | 1.380 (6) |
| Er1—O5 | 2.286 (3) | C4—C5 | 1.462 (6) |
| Er1—O4 | 2.294 (3) | C5—O9 | 1.258 (5) |
| Er1—O9i | 2.324 (3) | C5—O10 | 1.272 (5) |
| Er1—O4W | 2.396 (4) | C6—O14 | 1.267 (5) |
| Er1—O10 | 2.447 (3) | C6—O13 | 1.269 (5) |
| Er1—O9 | 2.508 (3) | C6—C7 | 1.470 (6) |
| Er1—C5 | 2.848 (4) | C6—Er2v | 2.879 (4) |
| Er2—O15ii | 2.198 (3) | C7—C9 | 1.378 (7) |
| Er2—O12iii | 2.291 (3) | C7—N3 | 1.383 (6) |
| Er2—O1 | 2.292 (3) | C8—N3 | 1.313 (6) |
| Er2—O1W | 2.316 (4) | C8—N4 | 1.338 (6) |
| Er2—O2iv | 2.333 (3) | C8—H8 | 0.9300 |
| Er2—O14ii | 2.373 (3) | C9—N4 | 1.376 (6) |
| Er2—O14v | 2.474 (3) | C9—C10 | 1.492 (7) |
| Er2—O13v | 2.514 (3) | C10—O16 | 1.234 (6) |
| Er2—C6v | 2.879 (4) | C10—O15 | 1.266 (6) |
| Er2—Er2iv | 3.9596 (4) | N1—H1 | 0.86 (5) |
| Co1—N3 | 2.062 (4) | N4—H2 | 0.86 (4) |
| Co1—N2 | 2.085 (4) | O2—Er2iv | 2.333 (3) |
| Co1—O3W | 2.093 (4) | O7—Er1i | 2.268 (3) |
| Co1—O10 | 2.099 (3) | O9—Er1i | 2.324 (3) |
| Co1—O2W | 2.120 (4) | O11—Er1i | 2.227 (3) |
| Co1—O13 | 2.165 (3) | O12—Er2vi | 2.291 (3) |
| S1—O3 | 1.464 (3) | O13—Er2v | 2.514 (3) |
| S1—O4 | 1.471 (3) | O14—Er2vii | 2.373 (3) |
| S1—O2 | 1.471 (3) | O14—Er2v | 2.474 (3) |
| S1—O1 | 1.477 (3) | O15—Er2vii | 2.198 (3) |
| S2—O6 | 1.443 (4) | O1W—H1W | 0.82 (5) |
| S2—O5 | 1.481 (3) | O1W—H2W | 0.82 (5) |
| S2—O8 | 1.482 (4) | O2W—H3W | 0.81 (4) |
| S2—O7 | 1.497 (3) | O2W—H4W | 0.80 (4) |
| C1—O11 | 1.255 (6) | O3W—H5W | 0.82 (7) |
| C1—O12 | 1.256 (5) | O3W—H6W | 0.81 (3) |
| C1—C2 | 1.474 (6) | O4W—H7W | 0.82 (4) |
| C2—N1 | 1.369 (6) | O4W—H8W | 0.81 (5) |
| C2—C4 | 1.385 (6) | O5W—H9W | 0.85 (5) |
| C3—N2 | 1.304 (6) | O5W—H10W | 0.86 (5) |
| C3—N1 | 1.339 (6) | ||
| O11i—Er1—O7i | 103.78 (12) | O2W—Co1—O13 | 87.26 (13) |
| O11i—Er1—O5 | 87.24 (12) | O3—S1—O4 | 108.4 (2) |
| O7i—Er1—O5 | 140.03 (11) | O3—S1—O2 | 110.1 (2) |
| O11i—Er1—O4 | 89.33 (12) | O4—S1—O2 | 109.7 (2) |
| O7i—Er1—O4 | 137.77 (12) | O3—S1—O1 | 109.2 (2) |
| O5—Er1—O4 | 79.46 (12) | O4—S1—O1 | 107.83 (19) |
| O11i—Er1—O9i | 77.27 (11) | O2—S1—O1 | 111.55 (19) |
| O7i—Er1—O9i | 71.65 (11) | O6—S2—O5 | 111.1 (2) |
| O5—Er1—O9i | 73.70 (11) | O6—S2—O8 | 112.1 (2) |
| O4—Er1—O9i | 150.39 (11) | O5—S2—O8 | 107.4 (2) |
| O11i—Er1—O4W | 77.71 (14) | O6—S2—O7 | 108.6 (2) |
| O7i—Er1—O4W | 73.79 (12) | O5—S2—O7 | 109.60 (18) |
| O5—Er1—O4W | 145.94 (13) | O8—S2—O7 | 107.9 (2) |
| O4—Er1—O4W | 70.10 (13) | O11—C1—O12 | 124.8 (4) |
| O9i—Er1—O4W | 130.42 (13) | O11—C1—C2 | 119.4 (4) |
| O11i—Er1—O10 | 162.82 (11) | O12—C1—C2 | 115.8 (4) |
| O7i—Er1—O10 | 77.34 (12) | N1—C2—C4 | 104.3 (4) |
| O5—Er1—O10 | 102.96 (12) | N1—C2—C1 | 121.7 (4) |
| O4—Er1—O10 | 79.20 (11) | C4—C2—C1 | 133.7 (4) |
| O9i—Er1—O10 | 118.64 (10) | N2—C3—N1 | 111.4 (4) |
| O4W—Er1—O10 | 86.33 (13) | N2—C3—H3 | 124.3 |
| O11i—Er1—O9 | 145.10 (10) | N1—C3—H3 | 124.3 |
| O7i—Er1—O9 | 75.86 (11) | N2—C4—C2 | 109.5 (4) |
| O5—Er1—O9 | 73.80 (11) | N2—C4—C5 | 115.7 (4) |
| O4—Er1—O9 | 114.74 (11) | C2—C4—C5 | 134.8 (4) |
| O9i—Er1—O9 | 69.47 (12) | O9—C5—O10 | 118.6 (4) |
| O4W—Er1—O9 | 132.82 (13) | O9—C5—C4 | 123.8 (4) |
| O10—Er1—O9 | 52.05 (10) | O10—C5—C4 | 117.6 (4) |
| O11i—Er1—C5 | 169.83 (11) | O9—C5—Er1 | 61.7 (2) |
| O7i—Er1—C5 | 71.00 (13) | O10—C5—Er1 | 58.9 (2) |
| O5—Er1—C5 | 91.51 (12) | C4—C5—Er1 | 163.6 (3) |
| O4—Er1—C5 | 100.37 (12) | O14—C6—O13 | 118.8 (4) |
| O9i—Er1—C5 | 92.68 (11) | O14—C6—C7 | 124.0 (4) |
| O4W—Er1—C5 | 108.36 (14) | O13—C6—C7 | 117.2 (4) |
| O10—Er1—C5 | 26.44 (11) | O14—C6—Er2v | 58.8 (2) |
| O9—Er1—C5 | 26.19 (11) | O13—C6—Er2v | 60.7 (2) |
| O15ii—Er2—O12iii | 89.96 (13) | C7—C6—Er2v | 172.0 (3) |
| O15ii—Er2—O1 | 102.94 (13) | C9—C7—N3 | 109.4 (4) |
| O12iii—Er2—O1 | 139.27 (12) | C9—C7—C6 | 134.6 (4) |
| O15ii—Er2—O1W | 79.51 (14) | N3—C7—C6 | 116.0 (4) |
| O12iii—Er2—O1W | 69.98 (12) | N3—C8—N4 | 111.3 (4) |
| O1—Er2—O1W | 74.63 (12) | N3—C8—H8 | 124.3 |
| O15ii—Er2—O2iv | 85.40 (13) | N4—C8—H8 | 124.3 |
| O12iii—Er2—O2iv | 78.38 (12) | N4—C9—C7 | 104.8 (4) |
| O1—Er2—O2iv | 140.26 (11) | N4—C9—C10 | 120.1 (4) |
| O1W—Er2—O2iv | 144.73 (11) | C7—C9—C10 | 134.9 (4) |
| O15ii—Er2—O14ii | 77.81 (12) | O16—C10—O15 | 124.0 (5) |
| O12iii—Er2—O14ii | 149.10 (12) | O16—C10—C9 | 117.7 (4) |
| O1—Er2—O14ii | 71.57 (11) | O15—C10—C9 | 118.3 (4) |
| O1W—Er2—O14ii | 133.35 (12) | C3—N1—C2 | 108.8 (4) |
| O2iv—Er2—O14ii | 72.50 (11) | C3—N1—H1 | 123 (5) |
| O15ii—Er2—O14v | 146.41 (12) | C2—N1—H1 | 127 (5) |
| O12iii—Er2—O14v | 111.88 (11) | C3—N2—C4 | 106.0 (4) |
| O1—Er2—O14v | 77.45 (11) | C3—N2—Co1 | 141.3 (3) |
| O1W—Er2—O14v | 131.03 (12) | C4—N2—Co1 | 112.6 (3) |
| O2iv—Er2—O14v | 75.04 (11) | C8—N3—C7 | 106.0 (4) |
| O14ii—Er2—O14v | 70.43 (11) | C8—N3—Co1 | 139.7 (3) |
| O15ii—Er2—O13v | 161.49 (12) | C7—N3—Co1 | 114.1 (3) |
| O12iii—Er2—O13v | 80.41 (11) | C8—N4—C9 | 108.5 (4) |
| O1—Er2—O13v | 75.46 (11) | C8—N4—H2 | 120 (4) |
| O1W—Er2—O13v | 82.34 (12) | C9—N4—H2 | 131 (4) |
| O2iv—Er2—O13v | 107.80 (11) | S1—O1—Er2 | 143.0 (2) |
| O14ii—Er2—O13v | 118.04 (10) | S1—O2—Er2iv | 142.13 (19) |
| O14v—Er2—O13v | 51.89 (10) | S1—O4—Er1 | 142.7 (2) |
| O15ii—Er2—C6v | 171.02 (13) | S2—O5—Er1 | 141.0 (2) |
| O12iii—Er2—C6v | 98.50 (12) | S2—O7—Er1i | 143.41 (19) |
| O1—Er2—C6v | 72.49 (12) | C5—O9—Er1i | 143.6 (3) |
| O1W—Er2—C6v | 106.14 (13) | C5—O9—Er1 | 92.2 (3) |
| O2iv—Er2—C6v | 93.33 (12) | Er1i—O9—Er1 | 110.53 (12) |
| O14ii—Er2—C6v | 93.33 (11) | C5—O10—Co1 | 115.3 (3) |
| O14v—Er2—C6v | 26.00 (11) | C5—O10—Er1 | 94.6 (3) |
| O13v—Er2—C6v | 26.10 (11) | Co1—O10—Er1 | 144.42 (15) |
| O15ii—Er2—Er2iv | 113.19 (9) | C1—O11—Er1i | 144.9 (3) |
| O12iii—Er2—Er2iv | 138.32 (8) | C1—O12—Er2vi | 136.0 (3) |
| O1—Er2—Er2iv | 71.02 (8) | C6—O13—Co1 | 114.4 (3) |
| O1W—Er2—Er2iv | 145.23 (8) | C6—O13—Er2v | 93.2 (3) |
| O2iv—Er2—Er2iv | 70.03 (8) | Co1—O13—Er2v | 150.77 (15) |
| O14ii—Er2—Er2iv | 36.06 (7) | C6—O14—Er2vii | 141.8 (3) |
| O14v—Er2—Er2iv | 34.37 (7) | C6—O14—Er2v | 95.2 (3) |
| O13v—Er2—Er2iv | 84.04 (7) | Er2vii—O14—Er2v | 109.57 (11) |
| C6v—Er2—Er2iv | 58.22 (9) | C10—O15—Er2vii | 158.3 (3) |
| N3—Co1—N2 | 102.00 (15) | Er2—O1W—H1W | 123 (4) |
| N3—Co1—O3W | 100.19 (16) | Er2—O1W—H2W | 125 (4) |
| N2—Co1—O3W | 92.08 (15) | H1W—O1W—H2W | 108 (6) |
| N3—Co1—O10 | 170.48 (14) | Co1—O2W—H3W | 111 (5) |
| N2—Co1—O10 | 78.70 (13) | Co1—O2W—H4W | 119 (5) |
| O3W—Co1—O10 | 89.25 (16) | H3W—O2W—H4W | 119 (6) |
| N3—Co1—O2W | 95.07 (15) | Co1—O3W—H5W | 112 (5) |
| N2—Co1—O2W | 160.56 (15) | Co1—O3W—H6W | 113 (5) |
| O3W—Co1—O2W | 94.00 (16) | H5W—O3W—H6W | 126 (7) |
| O10—Co1—O2W | 82.93 (14) | Er1—O4W—H7W | 130 (5) |
| N3—Co1—O13 | 77.96 (13) | Er1—O4W—H8W | 107 (5) |
| N2—Co1—O13 | 87.28 (14) | H7W—O4W—H8W | 91 (7) |
| O3W—Co1—O13 | 177.87 (16) | H9W—O5W—H10W | 104 (7) |
| O10—Co1—O13 | 92.62 (12) |
| H··· | ||||
| N1—H1···O8viii | 0.86 (5) | 1.95 (5) | 2.806 (6) | 176 (7) |
| O1W—H1W···O8ix | 0.82 (5) | 2.08 (5) | 2.885 (6) | 166 (5) |
| N4—H2···O3x | 0.86 (4) | 1.93 (3) | 2.785 (5) | 172 (7) |
| O1W—H2W···O3ix | 0.82 (5) | 2.01 (4) | 2.822 (5) | 170 (4) |
| O1W—H2W···O4ix | 0.82 (5) | 2.58 (5) | 3.048 (5) | 118 (5) |
| O2W—H3W···O16xi | 0.81 (4) | 1.92 (5) | 2.730 (5) | 176 (8) |
| O2W—H4W···O3ix | 0.80 (4) | 2.49 (5) | 2.897 (5) | 113 (4) |
| O3W—H5W···O5W | 0.82 (7) | 1.89 (7) | 2.692 (7) | 169 (7) |
| O3W—H6W···O6i | 0.81 (3) | 2.57 (4) | 3.336 (6) | 158 (8) |
| O4W—H7W···O5W | 0.82 (4) | 1.98 (4) | 2.752 (6) | 158 (6) |
| O4W—H8W···O2W | 0.81 (5) | 2.57 (7) | 3.167 (6) | 132 (6) |
| O5W—H9W···O8xii | 0.85 (5) | 1.90 (5) | 2.737 (6) | 169 (5) |
| O5W—H10W···O16xi | 0.86 (5) | 1.97 (6) | 2.787 (6) | 159 (7) |
| C3—H3···O6x | 0.93 | 2.46 | 3.224 (7) | 140 |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| N1—H1⋯O8i | 0.86 (5) | 1.95 (5) | 2.806 (6) | 176 (7) |
| O1 | 0.82 (5) | 2.08 (5) | 2.885 (6) | 166 (5) |
| N4—H2⋯O3iii | 0.86 (4) | 1.93 (3) | 2.785 (5) | 172 (7) |
| O1 | 0.82 (5) | 2.01 (4) | 2.822 (5) | 170 (4) |
| O1 | 0.82 (5) | 2.58 (5) | 3.048 (5) | 118 (5) |
| O2 | 0.81 (4) | 1.92 (5) | 2.730 (5) | 176 (8) |
| O2 | 0.80 (4) | 2.49 (5) | 2.897 (5) | 113 (4) |
| O3 | 0.82 (7) | 1.89 (7) | 2.692 (7) | 169 (7) |
| O3 | 0.81 (3) | 2.57 (4) | 3.336 (6) | 158 (8) |
| O4 | 0.82 (4) | 1.98 (4) | 2.752 (6) | 158 (6) |
| O4 | 0.81 (5) | 2.57 (7) | 3.167 (6) | 132 (6) |
| O5 | 0.85 (5) | 1.90 (5) | 2.737 (6) | 169 (5) |
| O5 | 0.86 (5) | 1.97 (6) | 2.787 (6) | 159 (7) |
| C3—H3⋯O6iii | 0.93 | 2.46 | 3.224 (7) | 140 |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) .