| Literature DB >> 22090878 |
Abstract
The 4d-4f heteronuclear title complex, [AgCe(C(14)H(8)N(2)O(5))(2)(H(2)O)](n), has a three-dimensional framework structure, generated by the carboxyl-ate and pyridyl groups of the 5-(isonicotinamido)-isophthalate (INAIP) ligands bridging the metal ions. The Ce(III) atom is coordinated by eight O atoms from six INAIP ligands and a water mol-ecule in a distorted tricapped trigonal-prismatic geometry, while the Ag(I) atom has a distorted trigonal-planar AgN(2)O geometry. O-H⋯O and N-H⋯O hydrogen bonds and π-π inter-actions between the pyridine and benzene rings [centroid-centroid distances = 3.642 (4) and 3.624 (3) Å] stabilize the crystal structure.Entities:
Year: 2011 PMID: 22090878 PMCID: PMC3212176 DOI: 10.1107/S1600536811027668
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [AgCe(C14H8N2O5)2(H2O)] | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 4777 reflections | |
| θ = 2.0–25.0° | |
| µ = 2.42 mm−1 | |
| α = 107.853 (1)° | |
| β = 106.778 (2)° | Block, colorless |
| γ = 102.885 (2)° | 0.20 × 0.14 × 0.10 mm |
| Bruker APEX CCD diffractometer | 4777 independent reflections |
| Radiation source: fine-focus sealed tube | 4178 reflections with |
| graphite | |
| φ and ω scans | θmax = 25.0°, θmin = 2.0° |
| Absorption correction: multi-scan ( | |
| 6903 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-atom parameters constrained | |
| 4777 reflections | (Δ/σ)max = 0.001 |
| 406 parameters | Δρmax = 1.40 e Å−3 |
| 0 restraints | Δρmin = −1.44 e Å−3 |
| Ag1 | 0.88225 (5) | 0.23184 (7) | 1.55049 (4) | 0.06266 (18) | |
| Ce1 | 0.63603 (3) | 0.45288 (2) | 0.61285 (2) | 0.01607 (9) | |
| C1 | 0.3260 (5) | 0.5683 (4) | 0.5961 (4) | 0.0200 (10) | |
| C2 | 0.2981 (5) | 0.5843 (4) | 0.7000 (4) | 0.0202 (10) | |
| C3 | 0.1600 (5) | 0.5553 (4) | 0.6961 (4) | 0.0222 (10) | |
| H3 | 0.0837 | 0.5240 | 0.6288 | 0.027* | |
| C4 | 0.1376 (5) | 0.5735 (5) | 0.7933 (4) | 0.0234 (10) | |
| C5 | 0.2530 (5) | 0.6195 (5) | 0.8932 (4) | 0.0247 (11) | |
| H5 | 0.2378 | 0.6312 | 0.9584 | 0.030* | |
| C6 | 0.3879 (5) | 0.6476 (4) | 0.8964 (4) | 0.0209 (10) | |
| C7 | 0.4116 (5) | 0.6312 (4) | 0.8000 (4) | 0.0223 (10) | |
| H7 | 0.5037 | 0.6517 | 0.8023 | 0.027* | |
| C8 | −0.0077 (5) | 0.5580 (5) | 0.7942 (4) | 0.0240 (11) | |
| C9 | 0.5223 (5) | 0.6542 (5) | 1.0769 (4) | 0.0236 (11) | |
| C10 | 0.6688 (5) | 0.7096 (5) | 1.1656 (4) | 0.0260 (11) | |
| C11 | 0.6840 (6) | 0.7319 (6) | 1.2735 (4) | 0.0398 (14) | |
| H11 | 0.6052 | 0.7199 | 1.2925 | 0.048* | |
| C12 | 0.8176 (6) | 0.7723 (7) | 1.3521 (4) | 0.0469 (16) | |
| H12 | 0.8272 | 0.7904 | 1.4252 | 0.056* | |
| C13 | 0.9185 (6) | 0.7691 (7) | 1.2276 (5) | 0.0481 (16) | |
| H13 | 0.9993 | 0.7828 | 1.2112 | 0.058* | |
| C14 | 0.7895 (6) | 0.7313 (6) | 1.1433 (4) | 0.0418 (14) | |
| H14 | 0.7840 | 0.7205 | 1.0721 | 0.050* | |
| C15 | 0.6561 (5) | 0.2158 (5) | 0.6570 (4) | 0.0240 (11) | |
| C16 | 0.6919 (5) | 0.1164 (4) | 0.7036 (4) | 0.0217 (10) | |
| C17 | 0.7361 (5) | 0.1512 (5) | 0.8175 (4) | 0.0258 (11) | |
| H17 | 0.7431 | 0.2353 | 0.8638 | 0.031* | |
| C18 | 0.7693 (5) | 0.0620 (5) | 0.8619 (4) | 0.0252 (11) | |
| C19 | 0.7550 (5) | −0.0648 (5) | 0.7921 (4) | 0.0241 (11) | |
| H19 | 0.7773 | −0.1255 | 0.8219 | 0.029* | |
| C20 | 0.7076 (5) | −0.1014 (4) | 0.6784 (4) | 0.0215 (10) | |
| C21 | 0.6768 (5) | −0.0101 (4) | 0.6344 (4) | 0.0223 (10) | |
| H21 | 0.6460 | −0.0340 | 0.5582 | 0.027* | |
| C22 | 0.6810 (5) | −0.2419 (5) | 0.6031 (4) | 0.0212 (10) | |
| C23 | 0.7450 (6) | 0.0246 (5) | 1.0210 (4) | 0.0356 (13) | |
| C24 | 0.7834 (6) | 0.0781 (5) | 1.1428 (4) | 0.0318 (12) | |
| C25 | 0.6756 (6) | 0.0579 (6) | 1.1812 (5) | 0.0428 (14) | |
| H25 | 0.5819 | 0.0151 | 1.1312 | 0.051* | |
| C26 | 0.7064 (7) | 0.1008 (6) | 1.2925 (5) | 0.0437 (14) | |
| H26 | 0.6321 | 0.0865 | 1.3165 | 0.052* | |
| C27 | 0.9447 (6) | 0.1839 (6) | 1.3330 (5) | 0.0452 (15) | |
| H27 | 1.0375 | 0.2270 | 1.3846 | 0.054* | |
| C28 | 0.9196 (6) | 0.1435 (6) | 1.2209 (4) | 0.0384 (14) | |
| H28 | 0.9950 | 0.1608 | 1.1985 | 0.046* | |
| N1 | 0.9338 (5) | 0.7871 (5) | 1.3303 (4) | 0.0409 (12) | |
| N2 | 0.5085 (4) | 0.6990 (4) | 0.9965 (3) | 0.0249 (9) | |
| H2 | 0.5787 | 0.7647 | 1.0061 | 0.030* | |
| N3 | 0.8395 (5) | 0.1627 (5) | 1.3687 (4) | 0.0401 (12) | |
| N4 | 0.8112 (5) | 0.0994 (4) | 0.9783 (3) | 0.0285 (10) | |
| H4 | 0.8810 | 0.1721 | 1.0226 | 0.034* | |
| O1 | 0.4458 (3) | 0.5621 (3) | 0.5960 (2) | 0.0233 (7) | |
| O2 | 0.2324 (4) | 0.5616 (4) | 0.5135 (3) | 0.0329 (9) | |
| O3 | −0.1121 (3) | 0.4777 (3) | 0.7074 (3) | 0.0280 (8) | |
| O4 | −0.0163 (4) | 0.6309 (4) | 0.8809 (3) | 0.0341 (9) | |
| O5 | 0.4260 (4) | 0.5710 (3) | 1.0791 (3) | 0.0316 (8) | |
| O6 | 0.6166 (4) | 0.3009 (3) | 0.7118 (3) | 0.0280 (8) | |
| O7 | 0.6661 (4) | 0.2109 (3) | 0.5664 (2) | 0.0241 (7) | |
| O8 | 0.6024 (4) | −0.2802 (3) | 0.5023 (3) | 0.0270 (8) | |
| O9 | 0.7369 (3) | −0.3125 (3) | 0.6448 (3) | 0.0259 (8) | |
| O10 | 0.6548 (5) | −0.0862 (4) | 0.9625 (3) | 0.0639 (14) | |
| O1W | 0.7032 (3) | 0.5815 (3) | 0.8217 (3) | 0.0266 (8) | |
| H1WB | 0.7778 | 0.5704 | 0.8568 | 0.032* | |
| H1WA | 0.6372 | 0.5446 | 0.8383 | 0.032* |
| Ag1 | 0.0349 (3) | 0.1311 (5) | 0.0321 (3) | 0.0401 (3) | 0.0142 (2) | 0.0360 (3) |
| Ce1 | 0.01710 (15) | 0.01732 (14) | 0.01439 (14) | 0.00767 (11) | 0.00504 (11) | 0.00675 (10) |
| C1 | 0.022 (3) | 0.018 (2) | 0.019 (2) | 0.006 (2) | 0.008 (2) | 0.005 (2) |
| C2 | 0.020 (3) | 0.025 (2) | 0.020 (2) | 0.012 (2) | 0.009 (2) | 0.011 (2) |
| C3 | 0.020 (3) | 0.025 (2) | 0.017 (2) | 0.008 (2) | 0.003 (2) | 0.007 (2) |
| C4 | 0.022 (3) | 0.027 (3) | 0.021 (3) | 0.009 (2) | 0.008 (2) | 0.009 (2) |
| C5 | 0.026 (3) | 0.033 (3) | 0.015 (2) | 0.015 (2) | 0.006 (2) | 0.009 (2) |
| C6 | 0.021 (3) | 0.021 (2) | 0.018 (2) | 0.007 (2) | 0.004 (2) | 0.008 (2) |
| C7 | 0.019 (3) | 0.027 (3) | 0.024 (3) | 0.010 (2) | 0.009 (2) | 0.012 (2) |
| C8 | 0.022 (3) | 0.030 (3) | 0.020 (3) | 0.009 (2) | 0.006 (2) | 0.013 (2) |
| C9 | 0.024 (3) | 0.026 (3) | 0.015 (2) | 0.006 (2) | 0.005 (2) | 0.005 (2) |
| C10 | 0.028 (3) | 0.027 (3) | 0.025 (3) | 0.011 (2) | 0.008 (2) | 0.013 (2) |
| C11 | 0.026 (3) | 0.072 (4) | 0.025 (3) | 0.019 (3) | 0.011 (2) | 0.021 (3) |
| C12 | 0.035 (4) | 0.081 (5) | 0.023 (3) | 0.024 (3) | 0.006 (3) | 0.020 (3) |
| C13 | 0.025 (3) | 0.082 (5) | 0.040 (4) | 0.017 (3) | 0.011 (3) | 0.030 (3) |
| C14 | 0.032 (3) | 0.070 (4) | 0.022 (3) | 0.011 (3) | 0.011 (3) | 0.021 (3) |
| C15 | 0.021 (3) | 0.024 (3) | 0.029 (3) | 0.010 (2) | 0.008 (2) | 0.015 (2) |
| C16 | 0.022 (3) | 0.019 (2) | 0.026 (3) | 0.008 (2) | 0.008 (2) | 0.012 (2) |
| C17 | 0.034 (3) | 0.020 (2) | 0.024 (3) | 0.010 (2) | 0.012 (2) | 0.008 (2) |
| C18 | 0.029 (3) | 0.024 (3) | 0.019 (2) | 0.006 (2) | 0.009 (2) | 0.008 (2) |
| C19 | 0.027 (3) | 0.023 (2) | 0.024 (3) | 0.011 (2) | 0.005 (2) | 0.013 (2) |
| C20 | 0.023 (3) | 0.018 (2) | 0.024 (3) | 0.007 (2) | 0.008 (2) | 0.010 (2) |
| C21 | 0.023 (3) | 0.023 (2) | 0.020 (2) | 0.008 (2) | 0.006 (2) | 0.010 (2) |
| C22 | 0.017 (3) | 0.026 (2) | 0.022 (3) | 0.006 (2) | 0.009 (2) | 0.011 (2) |
| C23 | 0.041 (3) | 0.029 (3) | 0.030 (3) | 0.007 (3) | 0.009 (3) | 0.011 (3) |
| C24 | 0.040 (3) | 0.030 (3) | 0.028 (3) | 0.011 (3) | 0.013 (3) | 0.015 (2) |
| C25 | 0.034 (3) | 0.048 (3) | 0.032 (3) | 0.006 (3) | 0.005 (3) | 0.011 (3) |
| C26 | 0.041 (4) | 0.063 (4) | 0.035 (3) | 0.020 (3) | 0.020 (3) | 0.024 (3) |
| C27 | 0.035 (4) | 0.076 (4) | 0.033 (3) | 0.026 (3) | 0.013 (3) | 0.028 (3) |
| C28 | 0.041 (4) | 0.058 (4) | 0.028 (3) | 0.023 (3) | 0.018 (3) | 0.024 (3) |
| N1 | 0.026 (3) | 0.064 (3) | 0.028 (3) | 0.016 (2) | 0.004 (2) | 0.018 (2) |
| N2 | 0.019 (2) | 0.030 (2) | 0.020 (2) | 0.0024 (18) | 0.0017 (18) | 0.0124 (18) |
| N3 | 0.043 (3) | 0.061 (3) | 0.030 (3) | 0.029 (3) | 0.018 (2) | 0.023 (2) |
| N4 | 0.036 (3) | 0.023 (2) | 0.018 (2) | 0.0039 (19) | 0.0031 (19) | 0.0088 (18) |
| O1 | 0.0193 (18) | 0.0286 (18) | 0.0219 (17) | 0.0091 (15) | 0.0082 (15) | 0.0089 (15) |
| O2 | 0.028 (2) | 0.060 (2) | 0.0197 (18) | 0.0253 (19) | 0.0103 (16) | 0.0198 (18) |
| O3 | 0.0173 (18) | 0.038 (2) | 0.0197 (18) | 0.0067 (16) | 0.0035 (15) | 0.0058 (16) |
| O4 | 0.0186 (19) | 0.049 (2) | 0.0256 (19) | 0.0095 (17) | 0.0089 (16) | 0.0045 (17) |
| O5 | 0.025 (2) | 0.042 (2) | 0.0259 (19) | 0.0067 (17) | 0.0073 (16) | 0.0177 (17) |
| O6 | 0.043 (2) | 0.0247 (18) | 0.0283 (19) | 0.0201 (17) | 0.0185 (17) | 0.0148 (16) |
| O7 | 0.032 (2) | 0.0250 (17) | 0.0207 (18) | 0.0128 (15) | 0.0115 (15) | 0.0124 (15) |
| O8 | 0.031 (2) | 0.0209 (17) | 0.0209 (18) | 0.0057 (15) | 0.0036 (16) | 0.0054 (15) |
| O9 | 0.0257 (19) | 0.0216 (17) | 0.0313 (19) | 0.0120 (15) | 0.0069 (16) | 0.0128 (15) |
| O10 | 0.083 (4) | 0.044 (2) | 0.033 (2) | −0.021 (2) | 0.020 (2) | 0.007 (2) |
| O1W | 0.0233 (19) | 0.0369 (19) | 0.0245 (18) | 0.0140 (16) | 0.0117 (15) | 0.0134 (16) |
| Ag1—N1i | 2.239 (4) | C13—N1 | 1.318 (7) |
| Ag1—N3 | 2.246 (4) | C13—C14 | 1.374 (8) |
| Ag1—O7ii | 2.306 (3) | C13—H13 | 0.9300 |
| Ce1—O9iii | 2.439 (3) | C14—H14 | 0.9300 |
| Ce1—O8iv | 2.483 (3) | C15—O6 | 1.247 (5) |
| Ce1—O6 | 2.485 (3) | C15—O7 | 1.264 (5) |
| Ce1—O3v | 2.493 (3) | C15—C16 | 1.503 (6) |
| Ce1—O2vi | 2.499 (3) | C16—C21 | 1.383 (6) |
| Ce1—O1 | 2.551 (3) | C16—C17 | 1.393 (6) |
| Ce1—O1W | 2.576 (3) | C17—C18 | 1.374 (6) |
| Ce1—O1vi | 2.685 (3) | C17—H17 | 0.9300 |
| Ce1—O7 | 2.690 (3) | C18—C19 | 1.390 (6) |
| C1—O2 | 1.237 (5) | C18—N4 | 1.423 (6) |
| C1—O1 | 1.274 (5) | C19—C20 | 1.386 (6) |
| C1—C2 | 1.503 (6) | C19—H19 | 0.9300 |
| C2—C7 | 1.383 (6) | C20—C21 | 1.385 (6) |
| C2—C3 | 1.393 (6) | C20—C22 | 1.499 (6) |
| C3—C4 | 1.384 (6) | C21—H21 | 0.9300 |
| C3—H3 | 0.9300 | C22—O9 | 1.256 (5) |
| C4—C5 | 1.394 (6) | C22—O8 | 1.265 (5) |
| C4—C8 | 1.498 (6) | C23—O10 | 1.224 (6) |
| C5—C6 | 1.364 (6) | C23—N4 | 1.341 (6) |
| C5—H5 | 0.9300 | C23—C24 | 1.485 (7) |
| C6—C7 | 1.382 (6) | C24—C28 | 1.376 (8) |
| C6—N2 | 1.416 (6) | C24—C25 | 1.382 (8) |
| C7—H7 | 0.9300 | C25—C26 | 1.365 (7) |
| C8—O3 | 1.255 (6) | C25—H25 | 0.9300 |
| C8—O4 | 1.260 (5) | C26—N3 | 1.343 (8) |
| C9—O5 | 1.225 (6) | C26—H26 | 0.9300 |
| C9—N2 | 1.329 (6) | C27—N3 | 1.335 (7) |
| C9—C10 | 1.503 (7) | C27—C28 | 1.388 (7) |
| C10—C14 | 1.374 (7) | C27—H27 | 0.9300 |
| C10—C11 | 1.378 (7) | C28—H28 | 0.9300 |
| C11—C12 | 1.371 (7) | N2—H2 | 0.8600 |
| C11—H11 | 0.9300 | N4—H4 | 0.8600 |
| C12—N1 | 1.324 (7) | O1W—H1WB | 0.8500 |
| C12—H12 | 0.9300 | O1W—H1WA | 0.8500 |
| N1i—Ag1—N3 | 121.79 (16) | O5—C9—C10 | 121.0 (4) |
| N1i—Ag1—O7ii | 124.05 (14) | N2—C9—C10 | 115.1 (4) |
| N3—Ag1—O7ii | 106.74 (14) | C14—C10—C11 | 117.8 (5) |
| O9iii—Ce1—O8iv | 133.09 (10) | C14—C10—C9 | 122.9 (4) |
| O9iii—Ce1—O6 | 142.14 (11) | C11—C10—C9 | 119.1 (5) |
| O8iv—Ce1—O6 | 76.29 (11) | C12—C11—C10 | 118.6 (5) |
| O9iii—Ce1—O3v | 83.67 (11) | C12—C11—H11 | 120.7 |
| O8iv—Ce1—O3v | 141.72 (10) | C10—C11—H11 | 120.7 |
| O6—Ce1—O3v | 77.23 (11) | N1—C12—C11 | 123.9 (5) |
| O9iii—Ce1—O2vi | 77.92 (11) | N1—C12—H12 | 118.0 |
| O8iv—Ce1—O2vi | 105.14 (11) | C11—C12—H12 | 118.0 |
| O6—Ce1—O2vi | 122.35 (10) | N1—C13—C14 | 123.5 (5) |
| O3v—Ce1—O2vi | 67.59 (10) | N1—C13—H13 | 118.2 |
| O9iii—Ce1—O1 | 69.33 (10) | C14—C13—H13 | 118.2 |
| O8iv—Ce1—O1 | 69.60 (10) | C10—C14—C13 | 119.1 (5) |
| O6—Ce1—O1 | 113.51 (10) | C10—C14—H14 | 120.4 |
| O3v—Ce1—O1 | 147.60 (10) | C13—C14—H14 | 120.4 |
| O2vi—Ce1—O1 | 120.84 (10) | O6—C15—O7 | 122.8 (4) |
| O9iii—Ce1—O1W | 75.72 (10) | O6—C15—C16 | 116.8 (4) |
| O8iv—Ce1—O1W | 119.75 (11) | O7—C15—C16 | 120.4 (4) |
| O6—Ce1—O1W | 67.66 (10) | C21—C16—C17 | 119.9 (4) |
| O3v—Ce1—O1W | 73.47 (10) | C21—C16—C15 | 120.7 (4) |
| O2vi—Ce1—O1W | 134.75 (11) | C17—C16—C15 | 119.4 (4) |
| O1—Ce1—O1W | 82.50 (10) | C18—C17—C16 | 120.4 (4) |
| O9iii—Ce1—O1vi | 79.04 (10) | C18—C17—H17 | 119.8 |
| O8iv—Ce1—O1vi | 69.80 (10) | C16—C17—H17 | 119.8 |
| O6—Ce1—O1vi | 138.81 (10) | C17—C18—C19 | 119.6 (4) |
| O3v—Ce1—O1vi | 117.28 (10) | C17—C18—N4 | 119.0 (4) |
| O2vi—Ce1—O1vi | 49.96 (10) | C19—C18—N4 | 121.3 (4) |
| O1—Ce1—O1vi | 75.80 (10) | C20—C19—C18 | 120.4 (4) |
| O1W—Ce1—O1vi | 151.22 (9) | C20—C19—H19 | 119.8 |
| O9iii—Ce1—O7 | 147.39 (10) | C18—C19—H19 | 119.8 |
| O8iv—Ce1—O7 | 72.15 (10) | C21—C20—C19 | 119.7 (4) |
| O6—Ce1—O7 | 50.26 (9) | C21—C20—C22 | 120.2 (4) |
| O3v—Ce1—O7 | 69.70 (10) | C19—C20—C22 | 120.0 (4) |
| O2vi—Ce1—O7 | 74.76 (10) | C16—C21—C20 | 120.0 (4) |
| O1—Ce1—O7 | 141.32 (10) | C16—C21—H21 | 120.0 |
| O1W—Ce1—O7 | 112.36 (9) | C20—C21—H21 | 120.0 |
| O1vi—Ce1—O7 | 96.35 (9) | O9—C22—O8 | 125.2 (4) |
| O9iii—Ce1—C1vi | 77.77 (11) | O9—C22—C20 | 117.9 (4) |
| O8iv—Ce1—C1vi | 87.39 (12) | O8—C22—C20 | 116.9 (4) |
| O6—Ce1—C1vi | 134.58 (11) | O10—C23—N4 | 121.8 (5) |
| O3v—Ce1—C1vi | 91.94 (12) | O10—C23—C24 | 119.4 (5) |
| O2vi—Ce1—C1vi | 24.43 (11) | N4—C23—C24 | 118.8 (5) |
| O1—Ce1—C1vi | 99.20 (11) | C28—C24—C25 | 117.2 (5) |
| O1W—Ce1—C1vi | 150.89 (12) | C28—C24—C23 | 124.7 (5) |
| O1vi—Ce1—C1vi | 25.54 (11) | C25—C24—C23 | 118.1 (5) |
| O7—Ce1—C1vi | 84.49 (10) | C26—C25—C24 | 120.1 (6) |
| O9iii—Ce1—Ce1vi | 70.04 (7) | C26—C25—H25 | 119.9 |
| O8iv—Ce1—Ce1vi | 63.92 (7) | C24—C25—H25 | 119.9 |
| O6—Ce1—Ce1vi | 137.33 (8) | N3—C26—C25 | 122.7 (6) |
| O3v—Ce1—Ce1vi | 144.99 (8) | N3—C26—H26 | 118.6 |
| O2vi—Ce1—Ce1vi | 84.17 (7) | C25—C26—H26 | 118.6 |
| O1—Ce1—Ce1vi | 39.05 (7) | N3—C27—C28 | 121.9 (6) |
| O1W—Ce1—Ce1vi | 119.27 (7) | N3—C27—H27 | 119.1 |
| O1vi—Ce1—Ce1vi | 36.76 (6) | C28—C27—H27 | 119.1 |
| O7—Ce1—Ce1vi | 123.63 (7) | C24—C28—C27 | 120.2 (5) |
| C1vi—Ce1—Ce1vi | 60.81 (9) | C24—C28—H28 | 119.9 |
| O2—C1—O1 | 122.0 (4) | C27—C28—H28 | 119.9 |
| O2—C1—C2 | 119.2 (4) | C13—N1—C12 | 116.9 (5) |
| O1—C1—C2 | 118.8 (4) | C13—N1—Ag1i | 123.5 (4) |
| O2—C1—Ce1vi | 56.7 (2) | C12—N1—Ag1i | 116.1 (3) |
| O1—C1—Ce1vi | 65.3 (2) | C9—N2—C6 | 125.4 (4) |
| C2—C1—Ce1vi | 175.4 (3) | C9—N2—H2 | 117.3 |
| C7—C2—C3 | 120.4 (4) | C6—N2—H2 | 117.3 |
| C7—C2—C1 | 119.1 (4) | C27—N3—C26 | 117.9 (5) |
| C3—C2—C1 | 120.4 (4) | C27—N3—Ag1 | 121.3 (4) |
| C4—C3—C2 | 119.2 (4) | C26—N3—Ag1 | 120.8 (4) |
| C4—C3—H3 | 120.4 | C23—N4—C18 | 122.0 (4) |
| C2—C3—H3 | 120.4 | C23—N4—H4 | 119.0 |
| C3—C4—C5 | 119.6 (4) | C18—N4—H4 | 119.0 |
| C3—C4—C8 | 120.7 (4) | C1—O1—Ce1 | 152.6 (3) |
| C5—C4—C8 | 119.5 (4) | C1—O1—Ce1vi | 89.1 (3) |
| C6—C5—C4 | 120.9 (4) | Ce1—O1—Ce1vi | 104.20 (10) |
| C6—C5—H5 | 119.6 | C1—O2—Ce1vi | 98.9 (3) |
| C4—C5—H5 | 119.6 | C8—O3—Ce1vii | 137.7 (3) |
| C5—C6—C7 | 120.0 (4) | C15—O6—Ce1 | 97.7 (3) |
| C5—C6—N2 | 122.7 (4) | C15—O7—Ag1viii | 119.3 (3) |
| C7—C6—N2 | 117.2 (4) | C15—O7—Ce1 | 87.7 (2) |
| C6—C7—C2 | 119.9 (4) | Ag1viii—O7—Ce1 | 107.58 (12) |
| C6—C7—H7 | 120.1 | C22—O8—Ce1iv | 131.5 (3) |
| C2—C7—H7 | 120.1 | C22—O9—Ce1ix | 129.5 (3) |
| O3—C8—O4 | 124.5 (4) | Ce1—O1W—H1WB | 108.0 |
| O3—C8—C4 | 118.0 (4) | Ce1—O1W—H1WA | 107.2 |
| O4—C8—C4 | 117.4 (4) | H1WB—O1W—H1WA | 107.1 |
| O5—C9—N2 | 123.9 (4) | ||
| O2—C1—C2—C7 | −160.8 (4) | N1i—Ag1—N3—C26 | 140.5 (4) |
| O1—C1—C2—C7 | 19.1 (6) | O7ii—Ag1—N3—C26 | −10.4 (5) |
| O2—C1—C2—C3 | 17.6 (7) | O10—C23—N4—C18 | 7.5 (8) |
| O1—C1—C2—C3 | −162.4 (4) | C24—C23—N4—C18 | −172.8 (4) |
| C7—C2—C3—C4 | −0.3 (7) | C17—C18—N4—C23 | 124.9 (5) |
| C1—C2—C3—C4 | −178.7 (4) | C19—C18—N4—C23 | −52.0 (7) |
| C2—C3—C4—C5 | −0.5 (7) | O2—C1—O1—Ce1 | −118.1 (6) |
| C2—C3—C4—C8 | 173.2 (4) | C2—C1—O1—Ce1 | 62.0 (8) |
| C3—C4—C5—C6 | 0.5 (7) | Ce1vi—C1—O1—Ce1 | −120.2 (6) |
| C8—C4—C5—C6 | −173.3 (4) | O2—C1—O1—Ce1vi | 2.1 (4) |
| C4—C5—C6—C7 | 0.3 (7) | C2—C1—O1—Ce1vi | −177.8 (4) |
| C4—C5—C6—N2 | 177.7 (4) | O9iii—Ce1—O1—C1 | −159.6 (6) |
| C5—C6—C7—C2 | −1.0 (7) | O8iv—Ce1—O1—C1 | 43.6 (6) |
| N2—C6—C7—C2 | −178.6 (4) | O6—Ce1—O1—C1 | −20.4 (6) |
| C3—C2—C7—C6 | 1.0 (7) | O3v—Ce1—O1—C1 | −124.1 (6) |
| C1—C2—C7—C6 | 179.4 (4) | O2vi—Ce1—O1—C1 | 139.5 (6) |
| C3—C4—C8—O3 | 29.7 (7) | O1W—Ce1—O1—C1 | −82.1 (6) |
| C5—C4—C8—O3 | −156.5 (4) | O1vi—Ce1—O1—C1 | 117.0 (7) |
| C3—C4—C8—O4 | −147.4 (4) | O7—Ce1—O1—C1 | 34.7 (7) |
| C5—C4—C8—O4 | 26.3 (6) | C1vi—Ce1—O1—C1 | 127.3 (6) |
| O5—C9—C10—C14 | 139.0 (5) | Ce1vi—Ce1—O1—C1 | 117.0 (7) |
| N2—C9—C10—C14 | −38.8 (7) | O9iii—Ce1—O1—Ce1vi | 83.44 (12) |
| O5—C9—C10—C11 | −36.7 (7) | O8iv—Ce1—O1—Ce1vi | −73.38 (11) |
| N2—C9—C10—C11 | 145.5 (5) | O6—Ce1—O1—Ce1vi | −137.43 (11) |
| C14—C10—C11—C12 | −1.0 (8) | O3v—Ce1—O1—Ce1vi | 118.93 (17) |
| C9—C10—C11—C12 | 174.9 (5) | O2vi—Ce1—O1—Ce1vi | 22.50 (16) |
| C10—C11—C12—N1 | −2.4 (10) | O1W—Ce1—O1—Ce1vi | 160.95 (12) |
| C11—C10—C14—C13 | 2.4 (8) | O1vi—Ce1—O1—Ce1vi | 0.0 |
| C9—C10—C14—C13 | −173.4 (5) | O7—Ce1—O1—Ce1vi | −82.34 (16) |
| N1—C13—C14—C10 | −0.5 (10) | C1vi—Ce1—O1—Ce1vi | 10.33 (13) |
| O6—C15—C16—C21 | 151.8 (5) | O1—C1—O2—Ce1vi | −2.3 (5) |
| O7—C15—C16—C21 | −28.0 (7) | C2—C1—O2—Ce1vi | 177.6 (3) |
| O6—C15—C16—C17 | −26.0 (7) | O4—C8—O3—Ce1vii | 26.3 (8) |
| O7—C15—C16—C17 | 154.2 (5) | C4—C8—O3—Ce1vii | −150.6 (3) |
| C21—C16—C17—C18 | 2.2 (7) | O7—C15—O6—Ce1 | −13.1 (5) |
| C15—C16—C17—C18 | 180.0 (4) | C16—C15—O6—Ce1 | 167.0 (4) |
| C16—C17—C18—C19 | −1.7 (8) | O9iii—Ce1—O6—C15 | −129.0 (3) |
| C16—C17—C18—N4 | −178.7 (4) | O8iv—Ce1—O6—C15 | 84.7 (3) |
| C17—C18—C19—C20 | 0.0 (7) | O3v—Ce1—O6—C15 | −67.4 (3) |
| N4—C18—C19—C20 | 176.9 (5) | O2vi—Ce1—O6—C15 | −14.7 (3) |
| C18—C19—C20—C21 | 1.2 (7) | O1—Ce1—O6—C15 | 144.9 (3) |
| C18—C19—C20—C22 | −175.0 (4) | O1W—Ce1—O6—C15 | −144.5 (3) |
| C17—C16—C21—C20 | −1.0 (7) | O1vi—Ce1—O6—C15 | 49.7 (4) |
| C15—C16—C21—C20 | −178.7 (4) | O7—Ce1—O6—C15 | 6.7 (3) |
| C19—C20—C21—C16 | −0.7 (7) | C1vi—Ce1—O6—C15 | 12.6 (4) |
| C22—C20—C21—C16 | 175.4 (4) | Ce1vi—Ce1—O6—C15 | 105.9 (3) |
| C21—C20—C22—O9 | 165.3 (4) | O6—C15—O7—Ag1viii | 121.0 (4) |
| C19—C20—C22—O9 | −18.5 (6) | C16—C15—O7—Ag1viii | −59.2 (5) |
| C21—C20—C22—O8 | −15.4 (7) | O6—C15—O7—Ce1 | 12.0 (5) |
| C19—C20—C22—O8 | 160.8 (4) | C16—C15—O7—Ce1 | −168.1 (4) |
| O10—C23—C24—C28 | 137.3 (6) | O9iii—Ce1—O7—C15 | 120.7 (3) |
| N4—C23—C24—C28 | −42.4 (8) | O8iv—Ce1—O7—C15 | −93.3 (3) |
| O10—C23—C24—C25 | −40.9 (8) | O6—Ce1—O7—C15 | −6.6 (3) |
| N4—C23—C24—C25 | 139.4 (5) | O3v—Ce1—O7—C15 | 83.5 (3) |
| C28—C24—C25—C26 | −0.8 (8) | O2vi—Ce1—O7—C15 | 154.8 (3) |
| C23—C24—C25—C26 | 177.5 (5) | O1—Ce1—O7—C15 | −84.5 (3) |
| C24—C25—C26—N3 | −0.3 (9) | O1W—Ce1—O7—C15 | 22.2 (3) |
| C25—C24—C28—C27 | 1.4 (8) | O1vi—Ce1—O7—C15 | −159.7 (3) |
| C23—C24—C28—C27 | −176.8 (5) | C1vi—Ce1—O7—C15 | 177.6 (3) |
| N3—C27—C28—C24 | −0.9 (9) | Ce1vi—Ce1—O7—C15 | −133.1 (3) |
| C14—C13—N1—C12 | −2.7 (10) | O9iii—Ce1—O7—Ag1viii | 0.7 (2) |
| C14—C13—N1—Ag1i | 154.9 (5) | O8iv—Ce1—O7—Ag1viii | 146.62 (14) |
| C11—C12—N1—C13 | 4.2 (10) | O6—Ce1—O7—Ag1viii | −126.60 (18) |
| C11—C12—N1—Ag1i | −155.1 (5) | O3v—Ce1—O7—Ag1viii | −36.53 (12) |
| O5—C9—N2—C6 | −7.6 (7) | O2vi—Ce1—O7—Ag1viii | 34.77 (12) |
| C10—C9—N2—C6 | 170.2 (4) | O1—Ce1—O7—Ag1viii | 155.43 (12) |
| C5—C6—N2—C9 | 45.2 (7) | O1W—Ce1—O7—Ag1viii | −97.83 (13) |
| C7—C6—N2—C9 | −137.3 (5) | O1vi—Ce1—O7—Ag1viii | 80.25 (12) |
| C28—C27—N3—C26 | −0.2 (8) | C1vi—Ce1—O7—Ag1viii | 57.59 (13) |
| C28—C27—N3—Ag1 | −179.0 (4) | Ce1vi—Ce1—O7—Ag1viii | 106.86 (10) |
| C25—C26—N3—C27 | 0.8 (9) | O9—C22—O8—Ce1iv | 65.6 (6) |
| C25—C26—N3—Ag1 | 179.6 (4) | C20—C22—O8—Ce1iv | −113.6 (4) |
| N1i—Ag1—N3—C27 | −40.7 (5) | O8—C22—O9—Ce1ix | −41.8 (6) |
| O7ii—Ag1—N3—C27 | 168.3 (4) | C20—C22—O9—Ce1ix | 137.4 (3) |
| H··· | ||||
| O1W—H1WA···O5x | 0.85 | 2.08 | 2.836 (5) | 147 |
| O1W—H1WB···O4v | 0.85 | 2.01 | 2.691 (6) | 137 |
| N2—H2···O10iii | 0.86 | 2.01 | 2.788 (7) | 149 |
| N4—H4···O4x | 0.86 | 2.08 | 2.926 (6) | 167 |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| O1 | 0.85 | 2.08 | 2.836 (5) | 147 |
| O1 | 0.85 | 2.01 | 2.691 (6) | 137 |
| N2—H2⋯O10iii | 0.86 | 2.01 | 2.788 (7) | 149 |
| N4—H4⋯O4i | 0.86 | 2.08 | 2.926 (6) | 167 |
Symmetry codes: (i) ; (ii) ; (iii) .