Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804026091/hg6092sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804026091/hg6092Isup2.hkl |
CCDC reference: 185549
Data collection: SMART (Bruker, 1997); cell refinement: SMART; data reduction: SAINT? and SHELXTL (Bruker, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPIII (Burnett & Johnson, 1996); software used to prepare material for publication: SHELXL97.
[Cd(NO3)2(C24H21N7)] | F(000) = 2592 |
Mr = 643.90 | Dx = 1.603 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -C2yc | Cell parameters from 885 reflections |
a = 26.082 (14) Å | θ = 3.4–25.4° |
b = 14.385 (7) Å | µ = 0.88 mm−1 |
c = 16.231 (8) Å | T = 293 K |
β = 118.808 (8)° | Block, colorless |
V = 5336 (5) Å3 | 0.30 × 0.20 × 0.15 mm |
Z = 8 |
Bruker SMART CCD area-detector diffractometer | 4799 independent reflections |
Radiation source: fine-focus sealed tube | 3049 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.054 |
φ and ω scans | θmax = 25.4°, θmin = 3.4° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −31→24 |
Tmin = 0.779, Tmax = 0.880 | k = −17→9 |
11037 measured reflections | l = −18→19 |
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)] = 0.039 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.077 | H-atom parameters constrained |
S = 0.96 | w = 1/[σ2(Fo2) + (0.024P)2] where P = (Fo2 + 2Fc2)/3 |
4799 reflections | (Δ/σ)max = 0.001 |
361 parameters | Δρmax = 0.89 e Å−3 |
0 restraints | Δρmin = −0.34 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 | 0.823376 (14) | 0.515687 (19) | 0.38317 (2) | 0.03324 (11) | |
N1 | 0.85835 (16) | 0.6453 (2) | 0.3099 (2) | 0.0330 (9) | |
N2 | 0.90513 (15) | 0.4692 (2) | 0.3794 (2) | 0.0359 (9) | |
N3 | 0.98290 (15) | 0.4980 (2) | 0.3608 (2) | 0.0432 (10) | |
H3A | 1.0079 | 0.5287 | 0.3513 | 0.052* | |
N4 | 0.82886 (15) | 0.6544 (2) | 0.4551 (2) | 0.0331 (8) | |
N5 | 0.83912 (16) | 0.8059 (2) | 0.4700 (3) | 0.0417 (10) | |
H5B | 0.8444 | 0.8624 | 0.4585 | 0.050* | |
N6 | 0.75158 (17) | 0.5495 (2) | 0.2269 (2) | 0.0351 (9) | |
N7 | 0.72710 (18) | 0.6062 (2) | 0.0858 (3) | 0.0443 (10) | |
H7B | 0.7304 | 0.6343 | 0.0418 | 0.053* | |
N8 | 0.8968 (2) | 0.3780 (4) | 0.5820 (3) | 0.0544 (11) | |
N9 | 0.74925 (18) | 0.3768 (3) | 0.3929 (3) | 0.0423 (10) | |
O1 | 0.88444 (16) | 0.4586 (3) | 0.5491 (2) | 0.0677 (11) | |
O2 | 0.86144 (19) | 0.3145 (3) | 0.5469 (3) | 0.0823 (13) | |
O3 | 0.94450 (18) | 0.3622 (3) | 0.6541 (3) | 0.0774 (12) | |
O4 | 0.77390 (15) | 0.3577 (2) | 0.3452 (2) | 0.0507 (9) | |
O5 | 0.75197 (14) | 0.4594 (2) | 0.4211 (2) | 0.0493 (9) | |
O6 | 0.72236 (16) | 0.3177 (2) | 0.4113 (2) | 0.0595 (10) | |
C1 | 0.9223 (2) | 0.6342 (3) | 0.3562 (3) | 0.0423 (12) | |
H1A | 0.9401 | 0.6625 | 0.4181 | 0.051* | |
H1B | 0.9378 | 0.6647 | 0.3195 | 0.051* | |
C2 | 0.93658 (19) | 0.5332 (3) | 0.3648 (3) | 0.0346 (11) | |
C3 | 0.9347 (2) | 0.3848 (3) | 0.3875 (3) | 0.0369 (11) | |
C4 | 0.9227 (2) | 0.2961 (3) | 0.4054 (3) | 0.0469 (13) | |
H4A | 0.8913 | 0.2836 | 0.4158 | 0.056* | |
C5 | 0.9596 (3) | 0.2273 (4) | 0.4071 (4) | 0.0619 (15) | |
H5A | 0.9523 | 0.1663 | 0.4173 | 0.074* | |
C6 | 1.0074 (2) | 0.2458 (4) | 0.3940 (4) | 0.0627 (15) | |
H6A | 1.0315 | 0.1968 | 0.3972 | 0.075* | |
C7 | 1.0206 (2) | 0.3337 (4) | 0.3766 (3) | 0.0562 (14) | |
H7A | 1.0522 | 0.3459 | 0.3666 | 0.067* | |
C8 | 0.9831 (2) | 0.4026 (3) | 0.3750 (3) | 0.0414 (12) | |
C9 | 0.8411 (2) | 0.7358 (3) | 0.3309 (3) | 0.0423 (12) | |
H9A | 0.8033 | 0.7537 | 0.2797 | 0.051* | |
H9B | 0.8694 | 0.7827 | 0.3368 | 0.051* | |
C10 | 0.83797 (19) | 0.7304 (3) | 0.4201 (3) | 0.0338 (11) | |
C11 | 0.82407 (18) | 0.6808 (3) | 0.5338 (3) | 0.0316 (10) | |
C12 | 0.8135 (2) | 0.6279 (3) | 0.5953 (3) | 0.0420 (12) | |
H12A | 0.8093 | 0.5637 | 0.5893 | 0.050* | |
C13 | 0.8096 (2) | 0.6753 (4) | 0.6665 (3) | 0.0511 (14) | |
H13A | 0.8025 | 0.6420 | 0.7091 | 0.061* | |
C14 | 0.8158 (2) | 0.7701 (4) | 0.6756 (3) | 0.0545 (14) | |
H14A | 0.8128 | 0.7991 | 0.7243 | 0.065* | |
C15 | 0.8264 (2) | 0.8231 (3) | 0.6160 (3) | 0.0499 (13) | |
H15A | 0.8308 | 0.8873 | 0.6229 | 0.060* | |
C16 | 0.83018 (19) | 0.7760 (3) | 0.5437 (3) | 0.0374 (11) | |
C17 | 0.8307 (2) | 0.6275 (3) | 0.2097 (3) | 0.0394 (12) | |
H17A | 0.8526 | 0.5802 | 0.1971 | 0.047* | |
H17B | 0.8309 | 0.6838 | 0.1769 | 0.047* | |
C18 | 0.7696 (2) | 0.5956 (3) | 0.1750 (3) | 0.0354 (11) | |
C19 | 0.6927 (2) | 0.5292 (3) | 0.1666 (3) | 0.0374 (11) | |
C20 | 0.6514 (2) | 0.4848 (3) | 0.1830 (3) | 0.0429 (11) | |
H20A | 0.6604 | 0.4637 | 0.2426 | 0.051* | |
C21 | 0.5967 (2) | 0.4732 (3) | 0.1077 (4) | 0.0561 (14) | |
H21A | 0.5685 | 0.4423 | 0.1169 | 0.067* | |
C22 | 0.5813 (2) | 0.5055 (4) | 0.0179 (4) | 0.0617 (15) | |
H22A | 0.5438 | 0.4953 | −0.0313 | 0.074* | |
C23 | 0.6219 (3) | 0.5529 (3) | 0.0016 (4) | 0.0602 (15) | |
H23A | 0.6121 | 0.5760 | −0.0577 | 0.072* | |
C24 | 0.6777 (2) | 0.5646 (3) | 0.0771 (3) | 0.0444 (12) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Cd1 | 0.0406 (2) | 0.02719 (17) | 0.03797 (18) | −0.00348 (16) | 0.02377 (15) | 0.00020 (16) |
N1 | 0.039 (3) | 0.029 (2) | 0.037 (2) | −0.0011 (16) | 0.023 (2) | −0.0017 (16) |
N2 | 0.042 (2) | 0.028 (2) | 0.043 (2) | 0.0002 (17) | 0.026 (2) | 0.0008 (16) |
N3 | 0.034 (2) | 0.046 (3) | 0.056 (2) | −0.0033 (18) | 0.026 (2) | 0.0028 (19) |
N4 | 0.042 (2) | 0.026 (2) | 0.036 (2) | −0.0012 (16) | 0.0227 (19) | 0.0013 (16) |
N5 | 0.049 (3) | 0.027 (2) | 0.054 (3) | −0.0006 (17) | 0.028 (2) | −0.0020 (18) |
N6 | 0.046 (3) | 0.031 (2) | 0.033 (2) | 0.0005 (16) | 0.023 (2) | 0.0002 (16) |
N7 | 0.061 (3) | 0.040 (2) | 0.036 (2) | 0.009 (2) | 0.026 (2) | 0.0095 (18) |
N8 | 0.050 (3) | 0.079 (4) | 0.045 (3) | −0.010 (3) | 0.031 (3) | −0.004 (3) |
N9 | 0.055 (3) | 0.039 (3) | 0.038 (2) | −0.013 (2) | 0.026 (2) | −0.0055 (18) |
O1 | 0.072 (3) | 0.073 (3) | 0.056 (2) | 0.010 (2) | 0.029 (2) | 0.016 (2) |
O2 | 0.082 (3) | 0.092 (3) | 0.071 (3) | −0.030 (3) | 0.035 (3) | −0.015 (2) |
O3 | 0.048 (3) | 0.105 (3) | 0.062 (3) | 0.002 (2) | 0.013 (2) | 0.034 (2) |
O4 | 0.064 (3) | 0.053 (2) | 0.049 (2) | −0.0073 (16) | 0.038 (2) | −0.0053 (15) |
O5 | 0.065 (2) | 0.036 (2) | 0.059 (2) | −0.0103 (15) | 0.0392 (19) | −0.0050 (15) |
O6 | 0.076 (3) | 0.051 (2) | 0.069 (2) | −0.0310 (18) | 0.049 (2) | −0.0123 (17) |
C1 | 0.053 (4) | 0.030 (3) | 0.053 (3) | −0.007 (2) | 0.032 (3) | −0.003 (2) |
C2 | 0.036 (3) | 0.033 (3) | 0.036 (3) | 0.001 (2) | 0.018 (2) | 0.004 (2) |
C3 | 0.032 (3) | 0.035 (3) | 0.037 (3) | 0.000 (2) | 0.012 (2) | 0.000 (2) |
C4 | 0.052 (4) | 0.035 (3) | 0.054 (3) | 0.002 (2) | 0.026 (3) | 0.002 (2) |
C5 | 0.062 (4) | 0.042 (3) | 0.074 (4) | 0.000 (3) | 0.028 (3) | 0.003 (3) |
C6 | 0.055 (4) | 0.050 (4) | 0.072 (4) | 0.019 (3) | 0.022 (3) | −0.001 (3) |
C7 | 0.039 (4) | 0.063 (4) | 0.062 (4) | 0.010 (3) | 0.021 (3) | −0.002 (3) |
C8 | 0.037 (3) | 0.040 (3) | 0.039 (3) | 0.008 (2) | 0.012 (2) | 0.001 (2) |
C9 | 0.056 (3) | 0.031 (3) | 0.050 (3) | 0.002 (2) | 0.034 (3) | 0.007 (2) |
C10 | 0.040 (3) | 0.026 (2) | 0.040 (3) | 0.0015 (19) | 0.023 (2) | 0.003 (2) |
C11 | 0.031 (3) | 0.035 (3) | 0.029 (2) | −0.0001 (19) | 0.015 (2) | 0.0001 (19) |
C12 | 0.041 (3) | 0.046 (3) | 0.039 (3) | 0.005 (2) | 0.020 (2) | 0.005 (2) |
C13 | 0.060 (4) | 0.063 (4) | 0.040 (3) | 0.011 (3) | 0.032 (3) | 0.005 (3) |
C14 | 0.053 (4) | 0.076 (4) | 0.038 (3) | 0.012 (3) | 0.025 (3) | −0.010 (3) |
C15 | 0.057 (4) | 0.041 (3) | 0.050 (3) | 0.006 (2) | 0.025 (3) | −0.010 (2) |
C16 | 0.037 (3) | 0.034 (3) | 0.043 (3) | 0.003 (2) | 0.020 (2) | −0.003 (2) |
C17 | 0.052 (3) | 0.030 (3) | 0.049 (3) | 0.003 (2) | 0.035 (3) | 0.005 (2) |
C18 | 0.052 (3) | 0.024 (2) | 0.036 (3) | 0.007 (2) | 0.026 (3) | 0.0020 (19) |
C19 | 0.041 (3) | 0.027 (3) | 0.042 (3) | 0.001 (2) | 0.018 (2) | −0.005 (2) |
C20 | 0.038 (3) | 0.036 (3) | 0.049 (3) | 0.005 (2) | 0.016 (3) | −0.001 (2) |
C21 | 0.049 (4) | 0.039 (3) | 0.083 (4) | 0.003 (2) | 0.033 (3) | −0.005 (3) |
C22 | 0.043 (3) | 0.057 (4) | 0.066 (4) | 0.008 (3) | 0.010 (3) | −0.010 (3) |
C23 | 0.067 (4) | 0.058 (4) | 0.044 (3) | 0.016 (3) | 0.017 (3) | 0.003 (2) |
C24 | 0.056 (4) | 0.034 (3) | 0.039 (3) | 0.009 (2) | 0.020 (3) | −0.003 (2) |
Cd1—N2 | 2.263 (4) | C3—C8 | 1.397 (6) |
Cd1—N4 | 2.281 (3) | C4—C5 | 1.371 (7) |
Cd1—N6 | 2.366 (4) | C4—H4A | 0.9300 |
Cd1—O5 | 2.369 (3) | C5—C6 | 1.389 (7) |
Cd1—O1 | 2.515 (4) | C5—H5A | 0.9300 |
Cd1—O4 | 2.539 (3) | C6—C7 | 1.375 (7) |
Cd1—N1 | 2.602 (3) | C6—H6A | 0.9300 |
N1—C17 | 1.449 (5) | C7—C8 | 1.382 (6) |
N1—C9 | 1.470 (5) | C7—H7A | 0.9300 |
N1—C1 | 1.472 (5) | C9—C10 | 1.491 (6) |
N2—C2 | 1.328 (5) | C9—H9A | 0.9700 |
N2—C3 | 1.411 (5) | C9—H9B | 0.9700 |
N3—C2 | 1.339 (5) | C11—C16 | 1.379 (5) |
N3—C8 | 1.391 (5) | C11—C12 | 1.385 (6) |
N3—H3A | 0.8600 | C12—C13 | 1.387 (6) |
N4—C10 | 1.305 (5) | C12—H12A | 0.9300 |
N4—C11 | 1.395 (5) | C13—C14 | 1.374 (6) |
N5—C10 | 1.346 (5) | C13—H13A | 0.9300 |
N5—C16 | 1.392 (5) | C14—C15 | 1.360 (7) |
N5—H5B | 0.8600 | C14—H14A | 0.9300 |
N6—C18 | 1.324 (5) | C15—C16 | 1.400 (6) |
N6—C19 | 1.397 (5) | C15—H15A | 0.9300 |
N7—C18 | 1.342 (5) | C17—C18 | 1.484 (6) |
N7—C24 | 1.364 (6) | C17—H17A | 0.9700 |
N7—H7B | 0.8600 | C17—H17B | 0.9700 |
N8—O2 | 1.227 (5) | C19—C20 | 1.385 (6) |
N8—O3 | 1.252 (5) | C19—C24 | 1.405 (6) |
N8—O1 | 1.252 (5) | C20—C21 | 1.371 (6) |
N9—O6 | 1.226 (4) | C20—H20A | 0.9300 |
N9—O4 | 1.253 (4) | C21—C22 | 1.392 (7) |
N9—O5 | 1.264 (4) | C21—H21A | 0.9300 |
C1—C2 | 1.488 (6) | C22—C23 | 1.387 (7) |
C1—H1A | 0.9700 | C22—H22A | 0.9300 |
C1—H1B | 0.9700 | C23—C24 | 1.390 (7) |
C3—C4 | 1.377 (6) | C23—H23A | 0.9300 |
N2—Cd1—N4 | 116.38 (12) | C3—C4—H4A | 121.8 |
N2—Cd1—N6 | 107.51 (12) | C4—C5—C6 | 122.2 (5) |
N4—Cd1—N6 | 100.99 (12) | C4—C5—H5A | 118.9 |
N2—Cd1—O5 | 140.83 (11) | C6—C5—H5A | 118.9 |
N4—Cd1—O5 | 91.68 (11) | C7—C6—C5 | 122.6 (5) |
N6—Cd1—O5 | 91.94 (12) | C7—C6—H6A | 118.7 |
N2—Cd1—O1 | 79.27 (12) | C5—C6—H6A | 118.7 |
N4—Cd1—O1 | 83.49 (13) | C6—C7—C8 | 114.8 (5) |
N6—Cd1—O1 | 168.61 (12) | C6—C7—H7A | 122.6 |
O5—Cd1—O1 | 77.38 (12) | C8—C7—H7A | 122.6 |
N2—Cd1—O4 | 95.99 (12) | C7—C8—N3 | 131.1 (5) |
N4—Cd1—O4 | 143.77 (12) | C7—C8—C3 | 123.1 (5) |
N6—Cd1—O4 | 82.92 (11) | N3—C8—C3 | 105.8 (4) |
O5—Cd1—O4 | 52.10 (10) | N1—C9—C10 | 110.2 (3) |
O1—Cd1—O4 | 87.32 (12) | N1—C9—H9A | 109.6 |
N2—Cd1—N1 | 69.93 (12) | C10—C9—H9A | 109.6 |
N4—Cd1—N1 | 69.98 (11) | N1—C9—H9B | 109.6 |
N6—Cd1—N1 | 68.48 (12) | C10—C9—H9B | 109.6 |
O5—Cd1—N1 | 148.96 (11) | H9A—C9—H9B | 108.1 |
O1—Cd1—N1 | 122.86 (12) | N4—C10—N5 | 111.7 (4) |
O4—Cd1—N1 | 141.24 (10) | N4—C10—C9 | 124.9 (4) |
C17—N1—C9 | 112.0 (3) | N5—C10—C9 | 123.1 (4) |
C17—N1—C1 | 112.4 (3) | C16—C11—C12 | 120.9 (4) |
C9—N1—C1 | 112.1 (3) | C16—C11—N4 | 108.6 (3) |
C17—N1—Cd1 | 107.0 (2) | C12—C11—N4 | 130.4 (4) |
C9—N1—Cd1 | 108.4 (2) | C11—C12—C13 | 116.8 (4) |
C1—N1—Cd1 | 104.4 (2) | C11—C12—H12A | 121.6 |
C2—N2—C3 | 104.9 (4) | C13—C12—H12A | 121.6 |
C2—N2—Cd1 | 118.1 (3) | C14—C13—C12 | 121.7 (4) |
C3—N2—Cd1 | 137.0 (3) | C14—C13—H13A | 119.1 |
C2—N3—C8 | 107.3 (3) | C12—C13—H13A | 119.1 |
C2—N3—H3A | 126.3 | C15—C14—C13 | 122.3 (4) |
C8—N3—H3A | 126.3 | C15—C14—H14A | 118.9 |
C10—N4—C11 | 106.6 (3) | C13—C14—H14A | 118.9 |
C10—N4—Cd1 | 119.3 (3) | C14—C15—C16 | 116.5 (5) |
C11—N4—Cd1 | 134.0 (3) | C14—C15—H15A | 121.8 |
C10—N5—C16 | 107.6 (3) | C16—C15—H15A | 121.8 |
C10—N5—H5B | 126.2 | C11—C16—N5 | 105.4 (4) |
C16—N5—H5B | 126.2 | C11—C16—C15 | 121.8 (4) |
C18—N6—C19 | 105.5 (4) | N5—C16—C15 | 132.8 (4) |
C18—N6—Cd1 | 116.4 (3) | N1—C17—C18 | 110.0 (3) |
C19—N6—Cd1 | 138.0 (3) | N1—C17—H17A | 109.7 |
C18—N7—C24 | 108.1 (4) | C18—C17—H17A | 109.7 |
C18—N7—H7B | 126.0 | N1—C17—H17B | 109.7 |
C24—N7—H7B | 126.0 | C18—C17—H17B | 109.7 |
O2—N8—O3 | 119.0 (5) | H17A—C17—H17B | 108.2 |
O2—N8—O1 | 120.7 (5) | N6—C18—N7 | 112.4 (4) |
O3—N8—O1 | 120.2 (5) | N6—C18—C17 | 124.0 (4) |
O6—N9—O4 | 121.5 (4) | N7—C18—C17 | 123.5 (4) |
O6—N9—O5 | 120.2 (4) | C20—C19—N6 | 131.0 (4) |
O4—N9—O5 | 118.3 (3) | C20—C19—C24 | 120.8 (5) |
N8—O1—Cd1 | 131.2 (3) | N6—C19—C24 | 108.2 (4) |
N9—O4—Cd1 | 90.3 (2) | C21—C20—C19 | 117.2 (5) |
N9—O5—Cd1 | 98.1 (2) | C21—C20—H20A | 121.4 |
N1—C1—C2 | 108.9 (3) | C19—C20—H20A | 121.4 |
N1—C1—H1A | 109.9 | C20—C21—C22 | 122.9 (5) |
C2—C1—H1A | 109.9 | C20—C21—H21A | 118.5 |
N1—C1—H1B | 109.9 | C22—C21—H21A | 118.5 |
C2—C1—H1B | 109.9 | C23—C22—C21 | 120.2 (5) |
H1A—C1—H1B | 108.3 | C23—C22—H22A | 119.9 |
N2—C2—N3 | 113.3 (4) | C21—C22—H22A | 119.9 |
N2—C2—C1 | 123.0 (4) | C22—C23—C24 | 117.6 (5) |
N3—C2—C1 | 123.7 (4) | C22—C23—H23A | 121.2 |
C4—C3—C8 | 121.0 (4) | C24—C23—H23A | 121.2 |
C4—C3—N2 | 130.4 (4) | N7—C24—C23 | 132.9 (5) |
C8—C3—N2 | 108.7 (4) | N7—C24—C19 | 105.9 (4) |
C5—C4—C3 | 116.4 (5) | C23—C24—C19 | 121.2 (5) |
C5—C4—H4A | 121.8 | ||
N2—Cd1—N1—C17 | 88.9 (3) | C3—N2—C2—N3 | 1.2 (5) |
N4—Cd1—N1—C17 | −141.6 (3) | Cd1—N2—C2—N3 | −178.0 (3) |
N6—Cd1—N1—C17 | −30.3 (2) | C3—N2—C2—C1 | −177.2 (4) |
O5—Cd1—N1—C17 | −84.6 (3) | Cd1—N2—C2—C1 | 3.6 (5) |
O1—Cd1—N1—C17 | 150.7 (2) | C8—N3—C2—N2 | −0.7 (5) |
O4—Cd1—N1—C17 | 15.0 (3) | C8—N3—C2—C1 | 177.8 (4) |
N2—Cd1—N1—C9 | −150.1 (3) | N1—C1—C2—N2 | −34.2 (5) |
N4—Cd1—N1—C9 | −20.6 (3) | N1—C1—C2—N3 | 147.4 (4) |
N6—Cd1—N1—C9 | 90.6 (3) | C2—N2—C3—C4 | 178.1 (5) |
O5—Cd1—N1—C9 | 36.4 (4) | Cd1—N2—C3—C4 | −2.9 (7) |
O1—Cd1—N1—C9 | −88.3 (3) | C2—N2—C3—C8 | −1.3 (5) |
O4—Cd1—N1—C9 | 136.0 (3) | Cd1—N2—C3—C8 | 177.7 (3) |
N2—Cd1—N1—C1 | −30.5 (2) | C8—C3—C4—C5 | −2.0 (7) |
N4—Cd1—N1—C1 | 99.1 (2) | N2—C3—C4—C5 | 178.7 (5) |
N6—Cd1—N1—C1 | −149.7 (3) | C3—C4—C5—C6 | 1.7 (8) |
O5—Cd1—N1—C1 | 156.0 (2) | C4—C5—C6—C7 | −1.4 (9) |
O1—Cd1—N1—C1 | 31.3 (3) | C5—C6—C7—C8 | 1.3 (8) |
O4—Cd1—N1—C1 | −104.4 (3) | C6—C7—C8—N3 | 179.2 (5) |
N4—Cd1—N2—C2 | −38.8 (3) | C6—C7—C8—C3 | −1.7 (7) |
N6—Cd1—N2—C2 | 73.6 (3) | C2—N3—C8—C7 | 179.0 (5) |
O5—Cd1—N2—C2 | −170.1 (3) | C2—N3—C8—C3 | −0.2 (5) |
O1—Cd1—N2—C2 | −115.9 (3) | C4—C3—C8—C7 | 2.1 (7) |
O4—Cd1—N2—C2 | 158.0 (3) | N2—C3—C8—C7 | −178.4 (4) |
N1—Cd1—N2—C2 | 15.2 (3) | C4—C3—C8—N3 | −178.6 (4) |
N4—Cd1—N2—C3 | 142.4 (4) | N2—C3—C8—N3 | 0.9 (5) |
N6—Cd1—N2—C3 | −105.3 (4) | C17—N1—C9—C10 | 145.9 (4) |
O5—Cd1—N2—C3 | 11.0 (5) | C1—N1—C9—C10 | −86.6 (4) |
O1—Cd1—N2—C3 | 65.2 (4) | Cd1—N1—C9—C10 | 28.2 (4) |
O4—Cd1—N2—C3 | −20.9 (4) | C11—N4—C10—N5 | −0.5 (5) |
N1—Cd1—N2—C3 | −163.7 (4) | Cd1—N4—C10—N5 | 179.1 (3) |
N2—Cd1—N4—C10 | 63.1 (3) | C11—N4—C10—C9 | −175.0 (4) |
N6—Cd1—N4—C10 | −52.9 (3) | Cd1—N4—C10—C9 | 4.6 (6) |
O5—Cd1—N4—C10 | −145.2 (3) | C16—N5—C10—N4 | 0.2 (5) |
O1—Cd1—N4—C10 | 137.7 (3) | C16—N5—C10—C9 | 174.8 (4) |
O4—Cd1—N4—C10 | −145.9 (3) | N1—C9—C10—N4 | −24.8 (6) |
N1—Cd1—N4—C10 | 9.1 (3) | N1—C9—C10—N5 | 161.3 (4) |
N2—Cd1—N4—C11 | −117.5 (4) | C10—N4—C11—C16 | 0.5 (5) |
N6—Cd1—N4—C11 | 126.5 (4) | Cd1—N4—C11—C16 | −178.9 (3) |
O5—Cd1—N4—C11 | 34.2 (4) | C10—N4—C11—C12 | 178.9 (5) |
O1—Cd1—N4—C11 | −42.9 (4) | Cd1—N4—C11—C12 | −0.6 (7) |
O4—Cd1—N4—C11 | 33.4 (5) | C16—C11—C12—C13 | −0.1 (6) |
N1—Cd1—N4—C11 | −171.5 (4) | N4—C11—C12—C13 | −178.3 (4) |
N2—Cd1—N6—C18 | −42.3 (3) | C11—C12—C13—C14 | 0.0 (7) |
N4—Cd1—N6—C18 | 80.1 (3) | C12—C13—C14—C15 | −0.1 (8) |
O5—Cd1—N6—C18 | 172.2 (3) | C13—C14—C15—C16 | 0.4 (7) |
O1—Cd1—N6—C18 | −167.6 (5) | C12—C11—C16—N5 | −178.9 (4) |
O4—Cd1—N6—C18 | −136.4 (3) | N4—C11—C16—N5 | −0.4 (5) |
N1—Cd1—N6—C18 | 16.9 (3) | C12—C11—C16—C15 | 0.4 (7) |
N2—Cd1—N6—C19 | 132.0 (4) | N4—C11—C16—C15 | 178.9 (4) |
N4—Cd1—N6—C19 | −105.6 (4) | C10—N5—C16—C11 | 0.1 (5) |
O5—Cd1—N6—C19 | −13.5 (4) | C10—N5—C16—C15 | −179.1 (5) |
O1—Cd1—N6—C19 | 6.7 (8) | C14—C15—C16—C11 | −0.5 (7) |
O4—Cd1—N6—C19 | 37.9 (4) | C14—C15—C16—N5 | 178.6 (5) |
N1—Cd1—N6—C19 | −168.7 (4) | C9—N1—C17—C18 | −79.4 (4) |
O2—N8—O1—Cd1 | −33.9 (6) | C1—N1—C17—C18 | 153.3 (3) |
O3—N8—O1—Cd1 | 149.6 (3) | Cd1—N1—C17—C18 | 39.2 (4) |
N2—Cd1—O1—N8 | −75.0 (4) | C19—N6—C18—N7 | −0.3 (4) |
N4—Cd1—O1—N8 | 166.5 (4) | Cd1—N6—C18—N7 | 175.7 (2) |
N6—Cd1—O1—N8 | 52.6 (8) | C19—N6—C18—C17 | −177.1 (4) |
O5—Cd1—O1—N8 | 73.3 (4) | Cd1—N6—C18—C17 | −1.0 (5) |
O4—Cd1—O1—N8 | 21.6 (4) | C24—N7—C18—N6 | −0.2 (5) |
N1—Cd1—O1—N8 | −132.4 (4) | C24—N7—C18—C17 | 176.5 (4) |
O6—N9—O4—Cd1 | −170.8 (4) | N1—C17—C18—N6 | −29.2 (5) |
O5—N9—O4—Cd1 | 10.2 (4) | N1—C17—C18—N7 | 154.4 (4) |
N2—Cd1—O4—N9 | 148.9 (2) | C18—N6—C19—C20 | −177.9 (4) |
N4—Cd1—O4—N9 | −5.1 (3) | Cd1—N6—C19—C20 | 7.4 (7) |
N6—Cd1—O4—N9 | −104.1 (3) | C18—N6—C19—C24 | 0.8 (4) |
O5—Cd1—O4—N9 | −6.1 (2) | Cd1—N6—C19—C24 | −173.9 (3) |
O1—Cd1—O4—N9 | 70.0 (3) | N6—C19—C20—C21 | −178.5 (4) |
N1—Cd1—O4—N9 | −145.9 (2) | C24—C19—C20—C21 | 3.0 (6) |
O6—N9—O5—Cd1 | 169.9 (4) | C19—C20—C21—C22 | −1.3 (7) |
O4—N9—O5—Cd1 | −11.1 (4) | C20—C21—C22—C23 | −0.8 (7) |
N2—Cd1—O5—N9 | −35.7 (3) | C21—C22—C23—C24 | 1.3 (7) |
N4—Cd1—O5—N9 | −173.4 (2) | C18—N7—C24—C23 | −178.7 (5) |
N6—Cd1—O5—N9 | 85.5 (2) | C18—N7—C24—C19 | 0.7 (4) |
O1—Cd1—O5—N9 | −90.5 (2) | C22—C23—C24—N7 | 179.7 (5) |
O4—Cd1—O5—N9 | 6.1 (2) | C22—C23—C24—C19 | 0.4 (7) |
N1—Cd1—O5—N9 | 134.6 (2) | C20—C19—C24—N7 | 177.9 (4) |
C17—N1—C1—C2 | −75.1 (4) | N6—C19—C24—N7 | −0.9 (4) |
C9—N1—C1—C2 | 157.7 (3) | C20—C19—C24—C23 | −2.6 (6) |
Cd1—N1—C1—C2 | 40.6 (4) | N6—C19—C24—C23 | 178.6 (4) |