| Literature DB >> 21522589 |
Sang-Wook Park, Ja-Min Gu, Youngmee Kim, Seong Huh.
Abstract
In the title compound, {(C(2)H(8)N)(2)[Cd(C(20)H(12)O(4))(2)]·2C(3)H(7)NO}(n), the Cd(II) ion lies on a twofold rotation axis and is in a distorted octa-hedral CdO(6) environment, defined by four O atoms of two μ(2)-coordinated 1,1':4',1''-terphenyl-3,3''-dicarboxyl-ate (DCT) ligands and two O atoms of two μ(1)-coordinated DCT ligands. Both types of DCT ligands act as bridging, forming a one-dimensional polymeric structure propagating parallel to [10].Entities:
Year: 2010 PMID: 21522589 PMCID: PMC3050304 DOI: 10.1107/S1600536810051366
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| (C2H8N)2[Cd(C20H12O4)2]·2C3H7NO | |
| Monoclinic, | Mo |
| Hall symbol: -C 2yc | Cell parameters from 2049 reflections |
| θ = 2.3–27.0° | |
| µ = 0.50 mm−1 | |
| β = 114.752 (2)° | Block, colorless |
| 0.08 × 0.08 × 0.05 mm | |
| Bruker SMART CCD area-detector diffractometer | 2861 reflections with |
| Radiation source: fine-focus sealed tube | |
| graphite | θmax = 26.0°, θmin = 1.6° |
| φ and ω scans | |
| 13515 measured reflections | |
| 4888 independent 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 | |
| 4888 reflections | (Δ/σ)max < 0.001 |
| 298 parameters | Δρmax = 1.47 e Å−3 |
| 0 restraints | Δρmin = −0.76 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 |
| Cd1 | 1.0000 | 0.22586 (5) | 0.7500 | 0.03992 (17) | |
| O1 | 1.08028 (11) | 0.3209 (3) | 0.77314 (16) | 0.0572 (9) | |
| O2 | 1.01785 (11) | 0.4040 (3) | 0.67570 (16) | 0.0621 (9) | |
| O3 | 0.95903 (10) | 0.0827 (3) | 0.65658 (14) | 0.0505 (8) | |
| O4 | 1.03902 (12) | 0.0114 (4) | 0.68232 (16) | 0.0719 (10) | |
| C1 | 1.06411 (17) | 0.4007 (5) | 0.7194 (2) | 0.0449 (11) | |
| C2 | 1.10258 (15) | 0.4955 (4) | 0.7074 (2) | 0.0389 (10) | |
| C3 | 1.15225 (14) | 0.5095 (4) | 0.7608 (2) | 0.0390 (10) | |
| H3 | 1.1610 | 0.4619 | 0.8040 | 0.047* | |
| C4 | 1.18932 (14) | 0.5936 (4) | 0.7510 (2) | 0.0382 (10) | |
| C5 | 1.17464 (16) | 0.6611 (5) | 0.6854 (2) | 0.0482 (12) | |
| H5 | 1.1987 | 0.7164 | 0.6770 | 0.058* | |
| C6 | 1.12548 (16) | 0.6485 (5) | 0.6323 (2) | 0.0534 (12) | |
| H6 | 1.1167 | 0.6951 | 0.5888 | 0.064* | |
| C7 | 1.08924 (16) | 0.5672 (5) | 0.6433 (2) | 0.0471 (11) | |
| H7 | 1.0558 | 0.5605 | 0.6077 | 0.056* | |
| C8 | 0.74239 (14) | −0.1084 (4) | 0.3083 (2) | 0.0377 (10) | |
| C9 | 0.76565 (15) | 0.0007 (5) | 0.3571 (2) | 0.0452 (11) | |
| H9 | 0.7467 | 0.0827 | 0.3560 | 0.054* | |
| C10 | 0.81649 (16) | −0.0094 (5) | 0.4076 (2) | 0.0465 (11) | |
| H10 | 0.8308 | 0.0657 | 0.4395 | 0.056* | |
| C11 | 0.84628 (15) | −0.1288 (5) | 0.4114 (2) | 0.0379 (10) | |
| C12 | 0.82222 (15) | −0.2418 (5) | 0.3648 (2) | 0.0443 (11) | |
| H12 | 0.8404 | −0.3260 | 0.3677 | 0.053* | |
| C13 | 0.77171 (15) | −0.2300 (5) | 0.3145 (2) | 0.0463 (11) | |
| H13 | 0.7569 | −0.3066 | 0.2837 | 0.056* | |
| C14 | 0.90158 (15) | −0.1368 (4) | 0.4619 (2) | 0.0385 (10) | |
| C15 | 0.92021 (15) | −0.0652 (4) | 0.5273 (2) | 0.0408 (10) | |
| H15 | 0.8975 | −0.0131 | 0.5400 | 0.049* | |
| C16 | 0.97212 (15) | −0.0706 (4) | 0.5738 (2) | 0.0396 (10) | |
| C17 | 1.00572 (16) | −0.1481 (5) | 0.5552 (2) | 0.0506 (12) | |
| H17 | 1.0406 | −0.1523 | 0.5861 | 0.061* | |
| C18 | 0.98748 (16) | −0.2195 (5) | 0.4906 (2) | 0.0541 (12) | |
| H18 | 1.0102 | −0.2724 | 0.4782 | 0.065* | |
| C19 | 0.93633 (16) | −0.2132 (5) | 0.4445 (2) | 0.0480 (11) | |
| H19 | 0.9248 | −0.2609 | 0.4009 | 0.058* | |
| C20 | 0.99169 (17) | 0.0116 (5) | 0.6434 (2) | 0.0473 (11) | |
| N21 | 0.1478 (2) | 0.4189 (6) | 0.9596 (2) | 0.0814 (14) | |
| O21 | 0.16600 (16) | 0.1981 (4) | 0.9324 (2) | 0.0925 (13) | |
| C21 | 0.1350 (2) | 0.2929 (7) | 0.9302 (3) | 0.0737 (16) | |
| H21 | 0.1000 | 0.2727 | 0.9057 | 0.088* | |
| C22 | 0.2015 (3) | 0.4610 (9) | 0.9988 (4) | 0.146 (3) | |
| H22A | 0.2235 | 0.3826 | 0.9996 | 0.220* | |
| H22B | 0.2077 | 0.4863 | 1.0469 | 0.220* | |
| H22C | 0.2088 | 0.5420 | 0.9757 | 0.220* | |
| C23 | 0.1082 (3) | 0.5226 (8) | 0.9496 (3) | 0.126 (3) | |
| H23A | 0.1143 | 0.6068 | 0.9275 | 0.189* | |
| H23B | 0.1088 | 0.5475 | 0.9952 | 0.189* | |
| H23C | 0.0752 | 0.4828 | 0.9196 | 0.189* | |
| N31 | 0.12647 (13) | 1.0202 (4) | 0.80646 (18) | 0.0537 (10) | |
| H31A | 0.1302 | 1.0770 | 0.8436 | 0.064* | |
| H31B | 0.0943 | 1.0331 | 0.7724 | 0.064* | |
| C31 | 0.16355 (19) | 1.0657 (7) | 0.7781 (3) | 0.0912 (19) | |
| H31C | 0.1980 | 1.0579 | 0.8149 | 0.137* | |
| H31D | 0.1568 | 1.1634 | 0.7623 | 0.137* | |
| H31E | 0.1601 | 1.0055 | 0.7385 | 0.137* | |
| C32 | 0.1320 (2) | 0.8719 (6) | 0.8299 (3) | 0.101 (2) | |
| H32A | 0.1310 | 0.8107 | 0.7919 | 0.152* | |
| H32B | 0.1042 | 0.8471 | 0.8426 | 0.152* | |
| H32C | 0.1643 | 0.8599 | 0.8708 | 0.152* |
| Cd1 | 0.0305 (2) | 0.0450 (3) | 0.0417 (3) | 0.000 | 0.01258 (19) | 0.000 |
| O1 | 0.0486 (19) | 0.058 (2) | 0.060 (2) | −0.0061 (16) | 0.0182 (16) | 0.0137 (17) |
| O2 | 0.0367 (18) | 0.067 (2) | 0.072 (2) | −0.0066 (16) | 0.0126 (17) | 0.0110 (17) |
| O3 | 0.0426 (18) | 0.061 (2) | 0.0476 (18) | 0.0010 (15) | 0.0182 (15) | −0.0085 (15) |
| O4 | 0.0410 (19) | 0.101 (3) | 0.055 (2) | 0.0050 (19) | 0.0016 (16) | −0.0156 (19) |
| C1 | 0.042 (3) | 0.041 (3) | 0.051 (3) | 0.002 (2) | 0.019 (2) | −0.003 (2) |
| C2 | 0.037 (2) | 0.035 (3) | 0.047 (3) | 0.0023 (19) | 0.020 (2) | 0.002 (2) |
| C3 | 0.038 (2) | 0.038 (3) | 0.040 (2) | 0.005 (2) | 0.015 (2) | 0.0036 (19) |
| C4 | 0.033 (2) | 0.037 (3) | 0.044 (3) | 0.0013 (19) | 0.015 (2) | 0.000 (2) |
| C5 | 0.040 (3) | 0.053 (3) | 0.053 (3) | −0.004 (2) | 0.020 (2) | 0.014 (2) |
| C6 | 0.043 (3) | 0.064 (3) | 0.048 (3) | 0.002 (2) | 0.014 (2) | 0.016 (2) |
| C7 | 0.035 (2) | 0.048 (3) | 0.051 (3) | 0.004 (2) | 0.011 (2) | 0.007 (2) |
| C8 | 0.035 (2) | 0.036 (3) | 0.042 (2) | 0.000 (2) | 0.016 (2) | 0.001 (2) |
| C9 | 0.041 (3) | 0.041 (3) | 0.052 (3) | 0.006 (2) | 0.017 (2) | −0.006 (2) |
| C10 | 0.046 (3) | 0.042 (3) | 0.045 (3) | −0.002 (2) | 0.013 (2) | −0.006 (2) |
| C11 | 0.039 (2) | 0.042 (3) | 0.034 (2) | 0.002 (2) | 0.0158 (19) | 0.002 (2) |
| C12 | 0.044 (2) | 0.040 (3) | 0.048 (3) | 0.006 (2) | 0.018 (2) | −0.002 (2) |
| C13 | 0.045 (2) | 0.040 (3) | 0.052 (3) | −0.003 (2) | 0.018 (2) | −0.011 (2) |
| C14 | 0.040 (2) | 0.040 (3) | 0.034 (2) | 0.001 (2) | 0.014 (2) | 0.001 (2) |
| C15 | 0.037 (2) | 0.042 (3) | 0.044 (3) | 0.001 (2) | 0.018 (2) | 0.002 (2) |
| C16 | 0.038 (2) | 0.040 (3) | 0.038 (2) | 0.002 (2) | 0.012 (2) | −0.001 (2) |
| C17 | 0.038 (3) | 0.057 (3) | 0.051 (3) | 0.009 (2) | 0.012 (2) | −0.001 (2) |
| C18 | 0.048 (3) | 0.056 (3) | 0.060 (3) | 0.010 (2) | 0.024 (2) | −0.008 (3) |
| C19 | 0.045 (3) | 0.051 (3) | 0.045 (3) | 0.002 (2) | 0.015 (2) | −0.010 (2) |
| C20 | 0.047 (3) | 0.046 (3) | 0.045 (3) | −0.002 (2) | 0.015 (2) | 0.003 (2) |
| N21 | 0.092 (4) | 0.076 (4) | 0.074 (3) | −0.010 (3) | 0.034 (3) | −0.021 (3) |
| O21 | 0.095 (3) | 0.086 (3) | 0.078 (3) | 0.011 (2) | 0.018 (2) | −0.011 (2) |
| C21 | 0.090 (4) | 0.067 (4) | 0.054 (3) | −0.016 (4) | 0.020 (3) | −0.010 (3) |
| C22 | 0.108 (6) | 0.159 (8) | 0.171 (7) | −0.055 (5) | 0.057 (5) | −0.080 (6) |
| C23 | 0.151 (7) | 0.092 (6) | 0.130 (6) | 0.007 (5) | 0.054 (5) | −0.012 (4) |
| N31 | 0.046 (2) | 0.060 (3) | 0.049 (2) | 0.010 (2) | 0.0142 (19) | −0.0055 (19) |
| C31 | 0.069 (4) | 0.108 (5) | 0.113 (5) | 0.000 (3) | 0.055 (4) | −0.002 (4) |
| C32 | 0.134 (6) | 0.064 (4) | 0.127 (5) | 0.021 (4) | 0.075 (5) | 0.014 (4) |
| Cd1—O3 | 2.228 (3) | C12—H12 | 0.9300 |
| Cd1—O3i | 2.228 (3) | C13—H13 | 0.9300 |
| Cd1—O1 | 2.312 (3) | C14—C19 | 1.383 (5) |
| Cd1—O1i | 2.312 (3) | C14—C15 | 1.394 (5) |
| Cd1—O2 | 2.451 (3) | C15—C16 | 1.387 (5) |
| Cd1—O2i | 2.451 (3) | C15—H15 | 0.9300 |
| Cd1—C1i | 2.714 (4) | C16—C17 | 1.376 (5) |
| Cd1—C1 | 2.714 (4) | C16—C20 | 1.510 (6) |
| O1—C1 | 1.250 (5) | C17—C18 | 1.380 (6) |
| O2—C1 | 1.248 (4) | C17—H17 | 0.9300 |
| O3—C20 | 1.262 (5) | C18—C19 | 1.369 (5) |
| O4—C20 | 1.249 (5) | C18—H18 | 0.9300 |
| C1—C2 | 1.508 (6) | C19—H19 | 0.9300 |
| C2—C7 | 1.383 (5) | N21—C21 | 1.302 (6) |
| C2—C3 | 1.389 (5) | N21—C23 | 1.434 (7) |
| C3—C4 | 1.397 (5) | N21—C22 | 1.455 (7) |
| C3—H3 | 0.9300 | O21—C21 | 1.238 (6) |
| C4—C5 | 1.386 (5) | C21—H21 | 0.9300 |
| C4—C8ii | 1.485 (5) | C22—H22A | 0.9600 |
| C5—C6 | 1.375 (5) | C22—H22B | 0.9600 |
| C5—H5 | 0.9300 | C22—H22C | 0.9600 |
| C6—C7 | 1.375 (5) | C23—H23A | 0.9600 |
| C6—H6 | 0.9300 | C23—H23B | 0.9600 |
| C7—H7 | 0.9300 | C23—H23C | 0.9600 |
| C8—C13 | 1.383 (5) | N31—C32 | 1.452 (6) |
| C8—C9 | 1.388 (5) | N31—C31 | 1.469 (6) |
| C8—C4iii | 1.485 (5) | N31—H31A | 0.9000 |
| C9—C10 | 1.389 (5) | N31—H31B | 0.9000 |
| C9—H9 | 0.9300 | C31—H31C | 0.9600 |
| C10—C11 | 1.383 (5) | C31—H31D | 0.9600 |
| C10—H10 | 0.9300 | C31—H31E | 0.9600 |
| C11—C12 | 1.396 (5) | C32—H32A | 0.9600 |
| C11—C14 | 1.484 (5) | C32—H32B | 0.9600 |
| C12—C13 | 1.383 (5) | C32—H32C | 0.9600 |
| O3—Cd1—O3i | 106.36 (15) | C10—C11—C14 | 121.9 (4) |
| O3—Cd1—O1 | 121.60 (10) | C12—C11—C14 | 121.0 (4) |
| O3i—Cd1—O1 | 86.31 (11) | C13—C12—C11 | 120.9 (4) |
| O3—Cd1—O1i | 86.31 (11) | C13—C12—H12 | 119.6 |
| O3i—Cd1—O1i | 121.60 (10) | C11—C12—H12 | 119.6 |
| O1—Cd1—O1i | 134.91 (16) | C12—C13—C8 | 122.3 (4) |
| O3—Cd1—O2 | 92.22 (10) | C12—C13—H13 | 118.9 |
| O3i—Cd1—O2 | 140.68 (10) | C8—C13—H13 | 118.9 |
| O1—Cd1—O2 | 54.70 (10) | C19—C14—C15 | 118.1 (4) |
| O1i—Cd1—O2 | 93.34 (10) | C19—C14—C11 | 120.8 (4) |
| O3—Cd1—O2i | 140.68 (10) | C15—C14—C11 | 121.0 (4) |
| O3i—Cd1—O2i | 92.22 (10) | C16—C15—C14 | 121.0 (4) |
| O1—Cd1—O2i | 93.34 (11) | C16—C15—H15 | 119.5 |
| O1i—Cd1—O2i | 54.69 (10) | C14—C15—H15 | 119.5 |
| O2—Cd1—O2i | 94.67 (15) | C17—C16—C15 | 119.6 (4) |
| O3—Cd1—C1i | 113.54 (12) | C17—C16—C20 | 120.4 (4) |
| O3i—Cd1—C1i | 108.72 (12) | C15—C16—C20 | 120.0 (4) |
| O1—Cd1—C1i | 115.31 (12) | C16—C17—C18 | 119.7 (4) |
| O1i—Cd1—C1i | 27.33 (10) | C16—C17—H17 | 120.1 |
| O2—Cd1—C1i | 94.22 (11) | C18—C17—H17 | 120.1 |
| O2i—Cd1—C1i | 27.36 (10) | C19—C18—C17 | 120.6 (4) |
| O3—Cd1—C1 | 108.72 (12) | C19—C18—H18 | 119.7 |
| O3i—Cd1—C1 | 113.54 (12) | C17—C18—H18 | 119.7 |
| O1—Cd1—C1 | 27.34 (10) | C18—C19—C14 | 121.0 (4) |
| O1i—Cd1—C1 | 115.31 (12) | C18—C19—H19 | 119.5 |
| O2—Cd1—C1 | 27.36 (10) | C14—C19—H19 | 119.5 |
| O2i—Cd1—C1 | 94.22 (11) | O4—C20—O3 | 124.1 (4) |
| C1i—Cd1—C1 | 106.12 (18) | O4—C20—C16 | 118.6 (4) |
| C1—O1—Cd1 | 94.5 (3) | O3—C20—C16 | 117.2 (4) |
| C1—O2—Cd1 | 88.1 (3) | C21—N21—C23 | 119.5 (6) |
| C20—O3—Cd1 | 109.4 (3) | C21—N21—C22 | 121.7 (6) |
| O2—C1—O1 | 122.7 (4) | C23—N21—C22 | 118.7 (6) |
| O2—C1—C2 | 119.3 (4) | O21—C21—N21 | 124.9 (6) |
| O1—C1—C2 | 118.0 (4) | O21—C21—H21 | 117.5 |
| O2—C1—Cd1 | 64.5 (2) | N21—C21—H21 | 117.5 |
| O1—C1—Cd1 | 58.1 (2) | N21—C22—H22A | 109.5 |
| C2—C1—Cd1 | 176.1 (3) | N21—C22—H22B | 109.5 |
| C7—C2—C3 | 119.4 (4) | H22A—C22—H22B | 109.5 |
| C7—C2—C1 | 120.8 (4) | N21—C22—H22C | 109.5 |
| C3—C2—C1 | 119.8 (4) | H22A—C22—H22C | 109.5 |
| C2—C3—C4 | 121.4 (4) | H22B—C22—H22C | 109.5 |
| C2—C3—H3 | 119.3 | N21—C23—H23A | 109.5 |
| C4—C3—H3 | 119.3 | N21—C23—H23B | 109.5 |
| C5—C4—C3 | 117.2 (4) | H23A—C23—H23B | 109.5 |
| C5—C4—C8ii | 121.5 (4) | N21—C23—H23C | 109.5 |
| C3—C4—C8ii | 121.3 (4) | H23A—C23—H23C | 109.5 |
| C6—C5—C4 | 121.8 (4) | H23B—C23—H23C | 109.5 |
| C6—C5—H5 | 119.1 | C32—N31—C31 | 114.3 (4) |
| C4—C5—H5 | 119.1 | C32—N31—H31A | 108.7 |
| C7—C6—C5 | 120.2 (4) | C31—N31—H31A | 108.7 |
| C7—C6—H6 | 119.9 | C32—N31—H31B | 108.7 |
| C5—C6—H6 | 119.9 | C31—N31—H31B | 108.7 |
| C6—C7—C2 | 119.9 (4) | H31A—N31—H31B | 107.6 |
| C6—C7—H7 | 120.1 | N31—C31—H31C | 109.5 |
| C2—C7—H7 | 120.1 | N31—C31—H31D | 109.5 |
| C13—C8—C9 | 116.6 (4) | H31C—C31—H31D | 109.5 |
| C13—C8—C4iii | 121.7 (4) | N31—C31—H31E | 109.5 |
| C9—C8—C4iii | 121.7 (4) | H31C—C31—H31E | 109.5 |
| C8—C9—C10 | 121.6 (4) | H31D—C31—H31E | 109.5 |
| C8—C9—H9 | 119.2 | N31—C32—H32A | 109.5 |
| C10—C9—H9 | 119.2 | N31—C32—H32B | 109.5 |
| C11—C10—C9 | 121.5 (4) | H32A—C32—H32B | 109.5 |
| C11—C10—H10 | 119.3 | N31—C32—H32C | 109.5 |
| C9—C10—H10 | 119.3 | H32A—C32—H32C | 109.5 |
| C10—C11—C12 | 117.0 (4) | H32B—C32—H32C | 109.5 |
| O3—Cd1—O1—C1 | 68.3 (3) | C2—C3—C4—C5 | −0.8 (6) |
| O3i—Cd1—O1—C1 | 175.3 (3) | C2—C3—C4—C8ii | 180.0 (4) |
| O1i—Cd1—O1—C1 | −52.1 (2) | C3—C4—C5—C6 | 1.1 (6) |
| O2—Cd1—O1—C1 | 0.6 (2) | C8ii—C4—C5—C6 | −179.6 (4) |
| O2i—Cd1—O1—C1 | −92.7 (3) | C4—C5—C6—C7 | 0.0 (7) |
| C1i—Cd1—O1—C1 | −75.8 (3) | C5—C6—C7—C2 | −1.4 (7) |
| O3—Cd1—O2—C1 | −128.6 (3) | C3—C2—C7—C6 | 1.7 (6) |
| O3i—Cd1—O2—C1 | −9.1 (3) | C1—C2—C7—C6 | −177.4 (4) |
| O1—Cd1—O2—C1 | −0.6 (2) | C13—C8—C9—C10 | 2.6 (6) |
| O1i—Cd1—O2—C1 | 145.0 (3) | C4iii—C8—C9—C10 | −175.6 (4) |
| O2i—Cd1—O2—C1 | 90.1 (3) | C8—C9—C10—C11 | 0.1 (6) |
| C1i—Cd1—O2—C1 | 117.6 (3) | C9—C10—C11—C12 | −3.3 (6) |
| O3i—Cd1—O3—C20 | −64.4 (3) | C9—C10—C11—C14 | 175.9 (4) |
| O1—Cd1—O3—C20 | 31.4 (3) | C10—C11—C12—C13 | 3.7 (6) |
| O1i—Cd1—O3—C20 | 173.7 (3) | C14—C11—C12—C13 | −175.5 (4) |
| O2—Cd1—O3—C20 | 80.5 (3) | C11—C12—C13—C8 | −1.0 (6) |
| O2i—Cd1—O3—C20 | −179.4 (2) | C9—C8—C13—C12 | −2.2 (6) |
| C1i—Cd1—O3—C20 | 176.1 (3) | C4iii—C8—C13—C12 | 176.1 (4) |
| C1—Cd1—O3—C20 | 58.2 (3) | C10—C11—C14—C19 | −148.1 (4) |
| Cd1—O2—C1—O1 | 1.1 (4) | C12—C11—C14—C19 | 31.1 (6) |
| Cd1—O2—C1—C2 | −179.3 (3) | C10—C11—C14—C15 | 30.5 (6) |
| Cd1—O1—C1—O2 | −1.2 (5) | C12—C11—C14—C15 | −150.4 (4) |
| Cd1—O1—C1—C2 | 179.2 (3) | C19—C14—C15—C16 | −0.1 (6) |
| O3—Cd1—C1—O2 | 55.5 (3) | C11—C14—C15—C16 | −178.7 (4) |
| O3i—Cd1—C1—O2 | 173.7 (2) | C14—C15—C16—C17 | −0.2 (6) |
| O1—Cd1—C1—O2 | 178.9 (4) | C14—C15—C16—C20 | 178.1 (4) |
| O1i—Cd1—C1—O2 | −39.3 (3) | C15—C16—C17—C18 | 0.0 (7) |
| O2i—Cd1—C1—O2 | −92.0 (3) | C20—C16—C17—C18 | −178.3 (4) |
| C1i—Cd1—C1—O2 | −66.9 (2) | C16—C17—C18—C19 | 0.5 (7) |
| O3—Cd1—C1—O1 | −123.3 (3) | C17—C18—C19—C14 | −0.8 (7) |
| O3i—Cd1—C1—O1 | −5.2 (3) | C15—C14—C19—C18 | 0.6 (6) |
| O1i—Cd1—C1—O1 | 141.8 (2) | C11—C14—C19—C18 | 179.2 (4) |
| O2—Cd1—C1—O1 | −178.9 (4) | Cd1—O3—C20—O4 | 7.4 (5) |
| O2i—Cd1—C1—O1 | 89.1 (3) | Cd1—O3—C20—C16 | −168.7 (3) |
| C1i—Cd1—C1—O1 | 114.2 (3) | C17—C16—C20—O4 | 2.3 (6) |
| O2—C1—C2—C7 | −10.8 (6) | C15—C16—C20—O4 | −176.0 (4) |
| O1—C1—C2—C7 | 168.7 (4) | C17—C16—C20—O3 | 178.6 (4) |
| O2—C1—C2—C3 | 170.1 (4) | C15—C16—C20—O3 | 0.4 (6) |
| O1—C1—C2—C3 | −10.3 (6) | C23—N21—C21—O21 | 176.3 (6) |
| C7—C2—C3—C4 | −0.6 (6) | C22—N21—C21—O21 | 0.3 (9) |
| C1—C2—C3—C4 | 178.5 (4) |