Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807009579/br2029sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807009579/br2029Isup2.hkl |
CCDC reference: 642920
Data collection: SMART (Bruker, 2001); cell refinement: SMART; data reduction: SAINT (Bruker, 2003); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Sheldrick, 2003); software used to prepare material for publication: SHELXTL.
[Cd(C9H9O2)2(C12H8N2)] | Z = 2 |
Mr = 590.94 | F(000) = 600 |
Triclinic, P1 | Dx = 1.518 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 7.703 (4) Å | Cell parameters from 2290 reflections |
b = 11.452 (6) Å | θ = 2.5–26.0° |
c = 15.370 (9) Å | µ = 0.88 mm−1 |
α = 78.182 (9)° | T = 294 K |
β = 77.170 (9)° | Block, colorless |
γ = 89.784 (9)° | 0.22 × 0.20 × 0.16 mm |
V = 1292.8 (12) Å3 |
Bruker SMART CCD area-detector diffractometer | 4564 independent reflections |
Radiation source: fine-focus sealed tube | 3155 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.043 |
φ and ω scans | θmax = 25.0°, θmin = 1.4° |
Absorption correction: multi-scan (SADABS; Sheldrick, 2003) | h = −8→9 |
Tmin = 0.889, Tmax = 0.917 | k = −13→8 |
6450 measured reflections | l = −18→18 |
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)] = 0.061 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.172 | H-atom parameters constrained |
S = 1.02 | w = 1/[σ2(Fo2) + (0.1018P)2] where P = (Fo2 + 2Fc2)/3 |
4520 reflections | (Δ/σ)max = 0.004 |
338 parameters | Δρmax = 2.11 e Å−3 |
0 restraints | Δρmin = −0.57 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 F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Cd1 | 0.25015 (8) | 0.11441 (5) | 0.99996 (4) | 0.0249 (2) | |
O1 | 0.1183 (4) | −0.0183 (2) | 1.10999 (19) | 0.0422 (7) | |
O2 | −0.0388 (4) | −0.1583 (2) | 1.07539 (19) | 0.0366 (7) | |
O3 | 0.3833 (4) | 0.0431 (2) | 0.88954 (19) | 0.0434 (8) | |
O4 | 0.5405 (4) | −0.1172 (2) | 0.92428 (19) | 0.0368 (7) | |
N1 | 0.1251 (4) | 0.2569 (3) | 1.0789 (2) | 0.0263 (7) | |
N2 | 0.3754 (4) | 0.2998 (3) | 0.9209 (2) | 0.0262 (7) | |
C1 | 0.0345 (5) | −0.1175 (3) | 1.1280 (3) | 0.0255 (8) | |
C2 | 0.0266 (5) | −0.1926 (3) | 1.2217 (2) | 0.0253 (8) | |
C3 | 0.1480 (5) | −0.1711 (3) | 1.2718 (3) | 0.0343 (9) | |
H3 | 0.2326 | −0.1085 | 1.2476 | 0.041* | |
C4 | 0.1457 (6) | −0.2413 (4) | 1.3572 (3) | 0.0432 (11) | |
C5 | 0.0155 (7) | −0.3306 (4) | 1.3934 (3) | 0.0484 (12) | |
H5 | 0.0112 | −0.3766 | 1.4513 | 0.058* | |
C6 | −0.1108 (6) | −0.3544 (4) | 1.3456 (3) | 0.0443 (11) | |
C7 | −0.1019 (5) | −0.2847 (3) | 1.2593 (3) | 0.0345 (9) | |
H7 | −0.1834 | −0.2998 | 1.2260 | 0.041* | |
C8 | 0.2817 (8) | −0.2175 (6) | 1.4089 (4) | 0.0778 (18) | |
H8A | 0.2473 | −0.2617 | 1.4707 | 0.117* | |
H8B | 0.2888 | −0.1337 | 1.4085 | 0.117* | |
H8C | 0.3960 | −0.2419 | 1.3804 | 0.117* | |
C9 | −0.2540 (8) | −0.4518 (5) | 1.3881 (4) | 0.0783 (18) | |
H9A | −0.3495 | −0.4396 | 1.3567 | 0.118* | |
H9B | −0.2988 | −0.4497 | 1.4512 | 0.118* | |
H9C | −0.2049 | −0.5280 | 1.3834 | 0.118* | |
C10 | 0.4661 (5) | −0.0471 (3) | 0.8716 (3) | 0.0260 (8) | |
C11 | 0.4706 (5) | −0.0730 (3) | 0.7788 (3) | 0.0265 (8) | |
C12 | 0.5965 (5) | −0.1461 (3) | 0.7415 (3) | 0.0327 (9) | |
H12 | 0.6813 | −0.1779 | 0.7733 | 0.039* | |
C13 | 0.5980 (6) | −0.1727 (4) | 0.6573 (3) | 0.0407 (10) | |
C14 | 0.4677 (6) | −0.1258 (4) | 0.6116 (3) | 0.0457 (11) | |
H14 | 0.4666 | −0.1440 | 0.5555 | 0.055* | |
C15 | 0.3397 (6) | −0.0526 (4) | 0.6476 (3) | 0.0403 (10) | |
C16 | 0.3455 (5) | −0.0255 (3) | 0.7307 (3) | 0.0324 (9) | |
H16 | 0.2633 | 0.0257 | 0.7548 | 0.039* | |
C17 | 0.7387 (8) | −0.2529 (5) | 0.6165 (4) | 0.0710 (17) | |
H17A | 0.7890 | −0.2985 | 0.6639 | 0.106* | |
H17B | 0.8311 | −0.2044 | 0.5714 | 0.106* | |
H17C | 0.6844 | −0.3062 | 0.5885 | 0.106* | |
C18 | 0.1954 (7) | −0.0059 (5) | 0.5992 (3) | 0.0672 (16) | |
H18A | 0.0834 | −0.0458 | 0.6321 | 0.101* | |
H18B | 0.2234 | −0.0207 | 0.5385 | 0.101* | |
H18C | 0.1873 | 0.0784 | 0.5963 | 0.101* | |
C19 | 0.4968 (5) | 0.3200 (4) | 0.8435 (3) | 0.0361 (10) | |
H19 | 0.5381 | 0.2551 | 0.8182 | 0.043* | |
C20 | 0.5667 (6) | 0.4347 (4) | 0.7972 (3) | 0.0475 (12) | |
H20 | 0.6524 | 0.4455 | 0.7427 | 0.057* | |
C21 | 0.5060 (6) | 0.5293 (4) | 0.8341 (3) | 0.0432 (11) | |
H21 | 0.5497 | 0.6061 | 0.8043 | 0.052* | |
C22 | 0.3793 (5) | 0.5126 (3) | 0.9161 (3) | 0.0323 (9) | |
C23 | 0.3098 (6) | 0.6067 (4) | 0.9607 (4) | 0.0463 (12) | |
H23 | 0.3506 | 0.6849 | 0.9338 | 0.056* | |
C24 | 0.1892 (7) | 0.5860 (4) | 1.0391 (4) | 0.0472 (12) | |
H24 | 0.1485 | 0.6497 | 1.0660 | 0.057* | |
C25 | 0.1206 (5) | 0.4675 (3) | 1.0832 (3) | 0.0336 (10) | |
C26 | −0.0062 (6) | 0.4396 (4) | 1.1657 (3) | 0.0441 (11) | |
H26 | −0.0511 | 0.5003 | 1.1952 | 0.053* | |
C27 | −0.0648 (6) | 0.3244 (4) | 1.2033 (3) | 0.0474 (12) | |
H27 | −0.1486 | 0.3053 | 1.2584 | 0.057* | |
C28 | 0.0046 (5) | 0.2356 (4) | 1.1567 (3) | 0.0369 (10) | |
H28 | −0.0366 | 0.1571 | 1.1820 | 0.044* | |
C29 | 0.1836 (5) | 0.3720 (3) | 1.0421 (3) | 0.0254 (8) | |
C30 | 0.3161 (5) | 0.3947 (3) | 0.9579 (3) | 0.0256 (8) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Cd1 | 0.0355 (4) | 0.0152 (3) | 0.0259 (3) | 0.0016 (2) | −0.0110 (2) | −0.0039 (2) |
O1 | 0.066 (2) | 0.0227 (15) | 0.0375 (17) | −0.0094 (14) | −0.0173 (15) | 0.0022 (12) |
O2 | 0.0444 (17) | 0.0290 (15) | 0.0398 (17) | 0.0009 (12) | −0.0210 (14) | −0.0022 (12) |
O3 | 0.063 (2) | 0.0368 (17) | 0.0358 (17) | 0.0162 (15) | −0.0154 (15) | −0.0164 (13) |
O4 | 0.0453 (17) | 0.0338 (16) | 0.0377 (16) | 0.0054 (13) | −0.0203 (14) | −0.0103 (13) |
N1 | 0.0258 (16) | 0.0209 (16) | 0.0327 (18) | 0.0005 (13) | −0.0087 (14) | −0.0049 (13) |
N2 | 0.0277 (17) | 0.0203 (16) | 0.0318 (18) | 0.0015 (13) | −0.0086 (14) | −0.0063 (13) |
C1 | 0.028 (2) | 0.0190 (19) | 0.030 (2) | 0.0071 (15) | −0.0095 (17) | −0.0040 (16) |
C2 | 0.033 (2) | 0.0182 (18) | 0.0259 (19) | 0.0013 (15) | −0.0064 (17) | −0.0061 (15) |
C3 | 0.035 (2) | 0.032 (2) | 0.036 (2) | 0.0003 (17) | −0.0084 (18) | −0.0061 (18) |
C4 | 0.056 (3) | 0.043 (3) | 0.033 (2) | 0.006 (2) | −0.017 (2) | −0.006 (2) |
C5 | 0.071 (3) | 0.041 (3) | 0.026 (2) | 0.002 (2) | −0.010 (2) | 0.0061 (19) |
C6 | 0.054 (3) | 0.033 (2) | 0.039 (3) | −0.006 (2) | −0.003 (2) | 0.0010 (19) |
C7 | 0.039 (2) | 0.028 (2) | 0.036 (2) | −0.0024 (17) | −0.0107 (19) | −0.0026 (18) |
C8 | 0.093 (5) | 0.092 (5) | 0.058 (4) | −0.001 (4) | −0.047 (3) | −0.004 (3) |
C9 | 0.091 (5) | 0.068 (4) | 0.060 (4) | −0.037 (3) | −0.010 (3) | 0.015 (3) |
C10 | 0.029 (2) | 0.0208 (19) | 0.031 (2) | 0.0011 (16) | −0.0092 (17) | −0.0088 (16) |
C11 | 0.032 (2) | 0.0178 (18) | 0.028 (2) | −0.0015 (15) | −0.0025 (17) | −0.0057 (15) |
C12 | 0.036 (2) | 0.027 (2) | 0.036 (2) | 0.0071 (17) | −0.0090 (18) | −0.0057 (18) |
C13 | 0.051 (3) | 0.036 (2) | 0.035 (2) | 0.011 (2) | −0.004 (2) | −0.0132 (19) |
C14 | 0.059 (3) | 0.052 (3) | 0.029 (2) | 0.004 (2) | −0.006 (2) | −0.019 (2) |
C15 | 0.045 (3) | 0.044 (3) | 0.032 (2) | 0.002 (2) | −0.012 (2) | −0.004 (2) |
C16 | 0.033 (2) | 0.033 (2) | 0.031 (2) | 0.0060 (17) | −0.0057 (18) | −0.0088 (18) |
C17 | 0.092 (4) | 0.072 (4) | 0.047 (3) | 0.036 (3) | 0.000 (3) | −0.025 (3) |
C18 | 0.057 (3) | 0.104 (5) | 0.047 (3) | 0.022 (3) | −0.025 (3) | −0.017 (3) |
C19 | 0.033 (2) | 0.035 (2) | 0.039 (2) | −0.0015 (18) | −0.0038 (19) | −0.0098 (19) |
C20 | 0.048 (3) | 0.047 (3) | 0.040 (3) | −0.011 (2) | −0.004 (2) | 0.001 (2) |
C21 | 0.044 (3) | 0.028 (2) | 0.054 (3) | −0.0101 (19) | −0.017 (2) | 0.008 (2) |
C22 | 0.031 (2) | 0.020 (2) | 0.049 (3) | −0.0029 (16) | −0.022 (2) | 0.0019 (17) |
C23 | 0.056 (3) | 0.025 (2) | 0.074 (4) | 0.012 (2) | −0.045 (3) | −0.016 (2) |
C24 | 0.056 (3) | 0.031 (2) | 0.074 (4) | 0.014 (2) | −0.047 (3) | −0.019 (2) |
C25 | 0.034 (2) | 0.031 (2) | 0.048 (3) | 0.0116 (17) | −0.023 (2) | −0.0191 (19) |
C26 | 0.045 (3) | 0.041 (3) | 0.058 (3) | 0.018 (2) | −0.018 (2) | −0.029 (2) |
C27 | 0.047 (3) | 0.053 (3) | 0.041 (3) | 0.012 (2) | 0.000 (2) | −0.017 (2) |
C28 | 0.033 (2) | 0.035 (2) | 0.041 (3) | 0.0045 (18) | −0.006 (2) | −0.0085 (19) |
C29 | 0.0249 (19) | 0.0190 (19) | 0.038 (2) | 0.0068 (15) | −0.0157 (17) | −0.0094 (16) |
C30 | 0.0240 (19) | 0.0200 (19) | 0.037 (2) | −0.0003 (15) | −0.0165 (17) | −0.0046 (16) |
Cd1—O3 | 2.094 (3) | C11—C16 | 1.386 (5) |
Cd1—O1 | 2.097 (3) | C12—C13 | 1.386 (6) |
Cd1—O4i | 2.193 (3) | C12—H12 | 0.9300 |
Cd1—O2ii | 2.200 (3) | C13—C14 | 1.394 (6) |
Cd1—N1 | 2.311 (3) | C13—C17 | 1.530 (6) |
Cd1—N2 | 2.313 (3) | C14—C15 | 1.386 (6) |
O1—C1 | 1.258 (4) | C14—H14 | 0.9300 |
O2—C1 | 1.245 (4) | C15—C16 | 1.384 (6) |
O2—Cd1ii | 2.200 (3) | C15—C18 | 1.508 (6) |
O3—C10 | 1.259 (4) | C16—H16 | 0.9300 |
O4—C10 | 1.251 (4) | C17—H17A | 0.9600 |
O4—Cd1i | 2.193 (3) | C17—H17B | 0.9600 |
N1—C28 | 1.320 (5) | C17—H17C | 0.9600 |
N1—C29 | 1.359 (5) | C18—H18A | 0.9600 |
N2—C19 | 1.319 (5) | C18—H18B | 0.9600 |
N2—C30 | 1.359 (4) | C18—H18C | 0.9600 |
C1—C2 | 1.508 (5) | C19—C20 | 1.405 (6) |
C2—C3 | 1.387 (5) | C19—H19 | 0.9300 |
C2—C7 | 1.389 (5) | C20—C21 | 1.359 (6) |
C3—C4 | 1.389 (6) | C20—H20 | 0.9300 |
C3—H3 | 0.9300 | C21—C22 | 1.390 (6) |
C4—C5 | 1.374 (6) | C21—H21 | 0.9300 |
C4—C8 | 1.505 (6) | C22—C30 | 1.409 (5) |
C5—C6 | 1.401 (6) | C22—C23 | 1.433 (6) |
C5—H5 | 0.9300 | C23—C24 | 1.326 (7) |
C6—C7 | 1.388 (6) | C23—H23 | 0.9300 |
C6—C9 | 1.510 (6) | C24—C25 | 1.432 (6) |
C7—H7 | 0.9300 | C24—H24 | 0.9300 |
C8—H8A | 0.9600 | C25—C26 | 1.397 (6) |
C8—H8B | 0.9600 | C25—C29 | 1.404 (5) |
C8—H8C | 0.9600 | C26—C27 | 1.362 (6) |
C9—H9A | 0.9600 | C26—H26 | 0.9300 |
C9—H9B | 0.9600 | C27—C28 | 1.399 (6) |
C9—H9C | 0.9600 | C27—H27 | 0.9300 |
C10—C11 | 1.508 (5) | C28—H28 | 0.9300 |
C11—C12 | 1.383 (5) | C29—C30 | 1.435 (5) |
O3—Cd1—O1 | 112.22 (12) | C11—C12—C13 | 120.9 (4) |
O3—Cd1—O4i | 101.33 (12) | C11—C12—H12 | 119.5 |
O1—Cd1—O4i | 86.70 (12) | C13—C12—H12 | 119.5 |
O3—Cd1—O2ii | 86.75 (12) | C12—C13—C14 | 118.5 (4) |
O1—Cd1—O2ii | 100.97 (12) | C12—C13—C17 | 120.4 (4) |
O4i—Cd1—O2ii | 165.97 (10) | C14—C13—C17 | 121.1 (4) |
O3—Cd1—N1 | 158.37 (12) | C15—C14—C13 | 121.8 (4) |
O1—Cd1—N1 | 88.80 (12) | C15—C14—H14 | 119.1 |
O4i—Cd1—N1 | 84.29 (10) | C13—C14—H14 | 119.1 |
O2ii—Cd1—N1 | 84.14 (11) | C16—C15—C14 | 118.0 (4) |
O3—Cd1—N2 | 88.25 (12) | C16—C15—C18 | 120.7 (4) |
O1—Cd1—N2 | 158.85 (11) | C14—C15—C18 | 121.3 (4) |
O4i—Cd1—N2 | 83.95 (11) | C15—C16—C11 | 121.6 (4) |
O2ii—Cd1—N2 | 84.87 (11) | C15—C16—H16 | 119.2 |
N1—Cd1—N2 | 71.45 (11) | C11—C16—H16 | 119.2 |
C1—O1—Cd1 | 141.8 (3) | C13—C17—H17A | 109.5 |
C1—O2—Cd1ii | 139.7 (2) | C13—C17—H17B | 109.5 |
C10—O3—Cd1 | 141.5 (3) | H17A—C17—H17B | 109.5 |
C10—O4—Cd1i | 139.6 (3) | C13—C17—H17C | 109.5 |
C28—N1—C29 | 117.7 (3) | H17A—C17—H17C | 109.5 |
C28—N1—Cd1 | 125.6 (3) | H17B—C17—H17C | 109.5 |
C29—N1—Cd1 | 116.7 (2) | C15—C18—H18A | 109.5 |
C19—N2—C30 | 118.3 (3) | C15—C18—H18B | 109.5 |
C19—N2—Cd1 | 125.3 (3) | H18A—C18—H18B | 109.5 |
C30—N2—Cd1 | 116.4 (2) | C15—C18—H18C | 109.5 |
O2—C1—O1 | 125.9 (4) | H18A—C18—H18C | 109.5 |
O2—C1—C2 | 118.3 (3) | H18B—C18—H18C | 109.5 |
O1—C1—C2 | 115.7 (3) | N2—C19—C20 | 123.2 (4) |
C3—C2—C7 | 118.9 (4) | N2—C19—H19 | 118.4 |
C3—C2—C1 | 120.5 (3) | C20—C19—H19 | 118.4 |
C7—C2—C1 | 120.6 (3) | C21—C20—C19 | 118.3 (4) |
C2—C3—C4 | 121.3 (4) | C21—C20—H20 | 120.9 |
C2—C3—H3 | 119.3 | C19—C20—H20 | 120.9 |
C4—C3—H3 | 119.3 | C20—C21—C22 | 120.6 (4) |
C5—C4—C3 | 118.6 (4) | C20—C21—H21 | 119.7 |
C5—C4—C8 | 121.3 (4) | C22—C21—H21 | 119.7 |
C3—C4—C8 | 120.1 (4) | C21—C22—C30 | 117.4 (4) |
C4—C5—C6 | 121.9 (4) | C21—C22—C23 | 124.5 (4) |
C4—C5—H5 | 119.1 | C30—C22—C23 | 118.1 (4) |
C6—C5—H5 | 119.1 | C24—C23—C22 | 122.2 (4) |
C7—C6—C5 | 118.1 (4) | C24—C23—H23 | 118.9 |
C7—C6—C9 | 121.4 (4) | C22—C23—H23 | 118.9 |
C5—C6—C9 | 120.5 (4) | C23—C24—C25 | 121.2 (4) |
C6—C7—C2 | 121.1 (4) | C23—C24—H24 | 119.4 |
C6—C7—H7 | 119.4 | C25—C24—H24 | 119.4 |
C2—C7—H7 | 119.4 | C26—C25—C29 | 117.1 (4) |
C4—C8—H8A | 109.5 | C26—C25—C24 | 124.1 (4) |
C4—C8—H8B | 109.5 | C29—C25—C24 | 118.9 (4) |
H8A—C8—H8B | 109.5 | C27—C26—C25 | 120.5 (4) |
C4—C8—H8C | 109.5 | C27—C26—H26 | 119.7 |
H8A—C8—H8C | 109.5 | C25—C26—H26 | 119.7 |
H8B—C8—H8C | 109.5 | C26—C27—C28 | 118.2 (4) |
C6—C9—H9A | 109.5 | C26—C27—H27 | 120.9 |
C6—C9—H9B | 109.5 | C28—C27—H27 | 120.9 |
H9A—C9—H9B | 109.5 | N1—C28—C27 | 123.8 (4) |
C6—C9—H9C | 109.5 | N1—C28—H28 | 118.1 |
H9A—C9—H9C | 109.5 | C27—C28—H28 | 118.1 |
H9B—C9—H9C | 109.5 | N1—C29—C25 | 122.8 (4) |
O4—C10—O3 | 125.8 (3) | N1—C29—C30 | 117.5 (3) |
O4—C10—C11 | 118.0 (3) | C25—C29—C30 | 119.7 (3) |
O3—C10—C11 | 116.1 (3) | N2—C30—C22 | 122.2 (4) |
C12—C11—C16 | 119.1 (4) | N2—C30—C29 | 117.9 (3) |
C12—C11—C10 | 120.8 (3) | C22—C30—C29 | 119.9 (3) |
C16—C11—C10 | 120.1 (3) | ||
O3—Cd1—O1—C1 | −35.1 (5) | O4—C10—C11—C12 | −20.2 (5) |
O4i—Cd1—O1—C1 | −136.0 (4) | O3—C10—C11—C12 | 161.3 (4) |
O2ii—Cd1—O1—C1 | 55.9 (4) | O4—C10—C11—C16 | 158.4 (4) |
N1—Cd1—O1—C1 | 139.6 (4) | O3—C10—C11—C16 | −20.1 (5) |
N2—Cd1—O1—C1 | 160.2 (4) | C16—C11—C12—C13 | −0.4 (6) |
O1—Cd1—O3—C10 | −33.7 (5) | C10—C11—C12—C13 | 178.2 (4) |
O4i—Cd1—O3—C10 | 57.3 (5) | C11—C12—C13—C14 | −1.1 (6) |
O2ii—Cd1—O3—C10 | −134.3 (5) | C11—C12—C13—C17 | 179.5 (4) |
N1—Cd1—O3—C10 | 160.6 (4) | C12—C13—C14—C15 | 0.9 (7) |
N2—Cd1—O3—C10 | 140.8 (4) | C17—C13—C14—C15 | −179.7 (5) |
O3—Cd1—N1—C28 | 160.0 (3) | C13—C14—C15—C16 | 0.8 (7) |
O1—Cd1—N1—C28 | −6.7 (3) | C13—C14—C15—C18 | −177.7 (5) |
O4i—Cd1—N1—C28 | −93.5 (3) | C14—C15—C16—C11 | −2.3 (6) |
O2ii—Cd1—N1—C28 | 94.4 (3) | C18—C15—C16—C11 | 176.2 (4) |
N2—Cd1—N1—C28 | −179.0 (3) | C12—C11—C16—C15 | 2.1 (6) |
O3—Cd1—N1—C29 | −21.0 (5) | C10—C11—C16—C15 | −176.5 (4) |
O1—Cd1—N1—C29 | 172.3 (3) | C30—N2—C19—C20 | −0.4 (6) |
O4i—Cd1—N1—C29 | 85.5 (3) | Cd1—N2—C19—C20 | 178.9 (3) |
O2ii—Cd1—N1—C29 | −86.6 (3) | N2—C19—C20—C21 | −0.1 (7) |
N2—Cd1—N1—C29 | 0.0 (2) | C19—C20—C21—C22 | 0.6 (7) |
O3—Cd1—N2—C19 | −7.1 (3) | C20—C21—C22—C30 | −0.7 (6) |
O1—Cd1—N2—C19 | 158.7 (3) | C20—C21—C22—C23 | 179.0 (4) |
O4i—Cd1—N2—C19 | 94.5 (3) | C21—C22—C23—C24 | −179.7 (4) |
O2ii—Cd1—N2—C19 | −94.0 (3) | C30—C22—C23—C24 | −0.1 (6) |
N1—Cd1—N2—C19 | −179.5 (3) | C22—C23—C24—C25 | −0.6 (7) |
O3—Cd1—N2—C30 | 172.2 (2) | C23—C24—C25—C26 | 180.0 (4) |
O1—Cd1—N2—C30 | −22.0 (5) | C23—C24—C25—C29 | 0.2 (6) |
O4i—Cd1—N2—C30 | −86.2 (2) | C29—C25—C26—C27 | −0.2 (6) |
O2ii—Cd1—N2—C30 | 85.3 (2) | C24—C25—C26—C27 | −180.0 (4) |
N1—Cd1—N2—C30 | −0.2 (2) | C25—C26—C27—C28 | −0.5 (7) |
Cd1ii—O2—C1—O1 | −60.8 (6) | C29—N1—C28—C27 | −0.5 (6) |
Cd1ii—O2—C1—C2 | 120.2 (3) | Cd1—N1—C28—C27 | 178.5 (3) |
Cd1—O1—C1—O2 | −20.7 (7) | C26—C27—C28—N1 | 0.8 (7) |
Cd1—O1—C1—C2 | 158.4 (3) | C28—N1—C29—C25 | −0.2 (5) |
O2—C1—C2—C3 | 159.8 (3) | Cd1—N1—C29—C25 | −179.3 (3) |
O1—C1—C2—C3 | −19.4 (5) | C28—N1—C29—C30 | 179.4 (3) |
O2—C1—C2—C7 | −20.0 (5) | Cd1—N1—C29—C30 | 0.3 (4) |
O1—C1—C2—C7 | 160.8 (4) | C26—C25—C29—N1 | 0.6 (6) |
C7—C2—C3—C4 | 1.5 (6) | C24—C25—C29—N1 | −179.7 (3) |
C1—C2—C3—C4 | −178.3 (4) | C26—C25—C29—C30 | −179.0 (3) |
C2—C3—C4—C5 | −2.5 (6) | C24—C25—C29—C30 | 0.8 (5) |
C2—C3—C4—C8 | 178.6 (4) | C19—N2—C30—C22 | 0.3 (5) |
C3—C4—C5—C6 | 1.7 (7) | Cd1—N2—C30—C22 | −179.0 (3) |
C8—C4—C5—C6 | −179.4 (5) | C19—N2—C30—C29 | 179.8 (3) |
C4—C5—C6—C7 | 0.0 (7) | Cd1—N2—C30—C29 | 0.5 (4) |
C4—C5—C6—C9 | −178.9 (5) | C21—C22—C30—N2 | 0.2 (5) |
C5—C6—C7—C2 | −1.0 (6) | C23—C22—C30—N2 | −179.5 (3) |
C9—C6—C7—C2 | 177.9 (4) | C21—C22—C30—C29 | −179.3 (3) |
C3—C2—C7—C6 | 0.3 (6) | C23—C22—C30—C29 | 1.0 (5) |
C1—C2—C7—C6 | −179.9 (4) | N1—C29—C30—N2 | −0.5 (5) |
Cd1i—O4—C10—O3 | −59.2 (6) | C25—C29—C30—N2 | 179.1 (3) |
Cd1i—O4—C10—C11 | 122.4 (3) | N1—C29—C30—C22 | 179.0 (3) |
Cd1—O3—C10—O4 | −22.5 (7) | C25—C29—C30—C22 | −1.4 (5) |
Cd1—O3—C10—C11 | 155.9 (3) |
Symmetry codes: (i) −x+1, −y, −z+2; (ii) −x, −y, −z+2. |