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The crystal structure of the title compound, [Cd(NTB)(NO3)2] [NTB is tris(2-benzimidazolyl­methyl)­amine, C24H21N7], contains a neutral monomeric cadmium(II) unit. The cadmium(II) ion is coordinated by four N atoms from the NTB ligand and three O atoms from the two nitrate anions. The coordination polyhedron for each Cd atom can be regarded as distorted pentagonal bipyramidal.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804026091/hg6092sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804026091/hg6092Isup2.hkl
Contains datablock I

CCDC reference: 185549

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.008 Å
  • R factor = 0.039
  • wR factor = 0.077
  • Data-to-parameter ratio = 13.3

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT601_ALERT_2_B Structure Contains Solvent Accessible VOIDS of . 148.00 A   3
Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.61 PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cd1 - O4 .. 9.69 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cd1 - O5 .. 6.48 su PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for O1 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors for N8 PLAT420_ALERT_2_C D-H Without Acceptor N5 - H5B ... ?
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

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.

[tris(2-benzimidazolylmethyl)amine]dinitratocadmium(II) top
Crystal data top
[Cd(NO3)2(C24H21N7)]F(000) = 2592
Mr = 643.90Dx = 1.603 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -C2ycCell parameters from 885 reflections
a = 26.082 (14) Åθ = 3.4–25.4°
b = 14.385 (7) ŵ = 0.88 mm1
c = 16.231 (8) ÅT = 293 K
β = 118.808 (8)°Block, colorless
V = 5336 (5) Å30.30 × 0.20 × 0.15 mm
Z = 8
Data collection top
Bruker SMART CCD area-detector
diffractometer
4799 independent reflections
Radiation source: fine-focus sealed tube3049 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.054
φ and ω scansθmax = 25.4°, θmin = 3.4°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 3124
Tmin = 0.779, Tmax = 0.880k = 179
11037 measured reflectionsl = 1819
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.039Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.077H-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 parametersΔρmax = 0.89 e Å3
0 restraintsΔρmin = 0.34 e Å3
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cd10.823376 (14)0.515687 (19)0.38317 (2)0.03324 (11)
N10.85835 (16)0.6453 (2)0.3099 (2)0.0330 (9)
N20.90513 (15)0.4692 (2)0.3794 (2)0.0359 (9)
N30.98290 (15)0.4980 (2)0.3608 (2)0.0432 (10)
H3A1.00790.52870.35130.052*
N40.82886 (15)0.6544 (2)0.4551 (2)0.0331 (8)
N50.83912 (16)0.8059 (2)0.4700 (3)0.0417 (10)
H5B0.84440.86240.45850.050*
N60.75158 (17)0.5495 (2)0.2269 (2)0.0351 (9)
N70.72710 (18)0.6062 (2)0.0858 (3)0.0443 (10)
H7B0.73040.63430.04180.053*
N80.8968 (2)0.3780 (4)0.5820 (3)0.0544 (11)
N90.74925 (18)0.3768 (3)0.3929 (3)0.0423 (10)
O10.88444 (16)0.4586 (3)0.5491 (2)0.0677 (11)
O20.86144 (19)0.3145 (3)0.5469 (3)0.0823 (13)
O30.94450 (18)0.3622 (3)0.6541 (3)0.0774 (12)
O40.77390 (15)0.3577 (2)0.3452 (2)0.0507 (9)
O50.75197 (14)0.4594 (2)0.4211 (2)0.0493 (9)
O60.72236 (16)0.3177 (2)0.4113 (2)0.0595 (10)
C10.9223 (2)0.6342 (3)0.3562 (3)0.0423 (12)
H1A0.94010.66250.41810.051*
H1B0.93780.66470.31950.051*
C20.93658 (19)0.5332 (3)0.3648 (3)0.0346 (11)
C30.9347 (2)0.3848 (3)0.3875 (3)0.0369 (11)
C40.9227 (2)0.2961 (3)0.4054 (3)0.0469 (13)
H4A0.89130.28360.41580.056*
C50.9596 (3)0.2273 (4)0.4071 (4)0.0619 (15)
H5A0.95230.16630.41730.074*
C61.0074 (2)0.2458 (4)0.3940 (4)0.0627 (15)
H6A1.03150.19680.39720.075*
C71.0206 (2)0.3337 (4)0.3766 (3)0.0562 (14)
H7A1.05220.34590.36660.067*
C80.9831 (2)0.4026 (3)0.3750 (3)0.0414 (12)
C90.8411 (2)0.7358 (3)0.3309 (3)0.0423 (12)
H9A0.80330.75370.27970.051*
H9B0.86940.78270.33680.051*
C100.83797 (19)0.7304 (3)0.4201 (3)0.0338 (11)
C110.82407 (18)0.6808 (3)0.5338 (3)0.0316 (10)
C120.8135 (2)0.6279 (3)0.5953 (3)0.0420 (12)
H12A0.80930.56370.58930.050*
C130.8096 (2)0.6753 (4)0.6665 (3)0.0511 (14)
H13A0.80250.64200.70910.061*
C140.8158 (2)0.7701 (4)0.6756 (3)0.0545 (14)
H14A0.81280.79910.72430.065*
C150.8264 (2)0.8231 (3)0.6160 (3)0.0499 (13)
H15A0.83080.88730.62290.060*
C160.83018 (19)0.7760 (3)0.5437 (3)0.0374 (11)
C170.8307 (2)0.6275 (3)0.2097 (3)0.0394 (12)
H17A0.85260.58020.19710.047*
H17B0.83090.68380.17690.047*
C180.7696 (2)0.5956 (3)0.1750 (3)0.0354 (11)
C190.6927 (2)0.5292 (3)0.1666 (3)0.0374 (11)
C200.6514 (2)0.4848 (3)0.1830 (3)0.0429 (11)
H20A0.66040.46370.24260.051*
C210.5967 (2)0.4732 (3)0.1077 (4)0.0561 (14)
H21A0.56850.44230.11690.067*
C220.5813 (2)0.5055 (4)0.0179 (4)0.0617 (15)
H22A0.54380.49530.03130.074*
C230.6219 (3)0.5529 (3)0.0016 (4)0.0602 (15)
H23A0.61210.57600.05770.072*
C240.6777 (2)0.5646 (3)0.0771 (3)0.0444 (12)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.0406 (2)0.02719 (17)0.03797 (18)0.00348 (16)0.02377 (15)0.00020 (16)
N10.039 (3)0.029 (2)0.037 (2)0.0011 (16)0.023 (2)0.0017 (16)
N20.042 (2)0.028 (2)0.043 (2)0.0002 (17)0.026 (2)0.0008 (16)
N30.034 (2)0.046 (3)0.056 (2)0.0033 (18)0.026 (2)0.0028 (19)
N40.042 (2)0.026 (2)0.036 (2)0.0012 (16)0.0227 (19)0.0013 (16)
N50.049 (3)0.027 (2)0.054 (3)0.0006 (17)0.028 (2)0.0020 (18)
N60.046 (3)0.031 (2)0.033 (2)0.0005 (16)0.023 (2)0.0002 (16)
N70.061 (3)0.040 (2)0.036 (2)0.009 (2)0.026 (2)0.0095 (18)
N80.050 (3)0.079 (4)0.045 (3)0.010 (3)0.031 (3)0.004 (3)
N90.055 (3)0.039 (3)0.038 (2)0.013 (2)0.026 (2)0.0055 (18)
O10.072 (3)0.073 (3)0.056 (2)0.010 (2)0.029 (2)0.016 (2)
O20.082 (3)0.092 (3)0.071 (3)0.030 (3)0.035 (3)0.015 (2)
O30.048 (3)0.105 (3)0.062 (3)0.002 (2)0.013 (2)0.034 (2)
O40.064 (3)0.053 (2)0.049 (2)0.0073 (16)0.038 (2)0.0053 (15)
O50.065 (2)0.036 (2)0.059 (2)0.0103 (15)0.0392 (19)0.0050 (15)
O60.076 (3)0.051 (2)0.069 (2)0.0310 (18)0.049 (2)0.0123 (17)
C10.053 (4)0.030 (3)0.053 (3)0.007 (2)0.032 (3)0.003 (2)
C20.036 (3)0.033 (3)0.036 (3)0.001 (2)0.018 (2)0.004 (2)
C30.032 (3)0.035 (3)0.037 (3)0.000 (2)0.012 (2)0.000 (2)
C40.052 (4)0.035 (3)0.054 (3)0.002 (2)0.026 (3)0.002 (2)
C50.062 (4)0.042 (3)0.074 (4)0.000 (3)0.028 (3)0.003 (3)
C60.055 (4)0.050 (4)0.072 (4)0.019 (3)0.022 (3)0.001 (3)
C70.039 (4)0.063 (4)0.062 (4)0.010 (3)0.021 (3)0.002 (3)
C80.037 (3)0.040 (3)0.039 (3)0.008 (2)0.012 (2)0.001 (2)
C90.056 (3)0.031 (3)0.050 (3)0.002 (2)0.034 (3)0.007 (2)
C100.040 (3)0.026 (2)0.040 (3)0.0015 (19)0.023 (2)0.003 (2)
C110.031 (3)0.035 (3)0.029 (2)0.0001 (19)0.015 (2)0.0001 (19)
C120.041 (3)0.046 (3)0.039 (3)0.005 (2)0.020 (2)0.005 (2)
C130.060 (4)0.063 (4)0.040 (3)0.011 (3)0.032 (3)0.005 (3)
C140.053 (4)0.076 (4)0.038 (3)0.012 (3)0.025 (3)0.010 (3)
C150.057 (4)0.041 (3)0.050 (3)0.006 (2)0.025 (3)0.010 (2)
C160.037 (3)0.034 (3)0.043 (3)0.003 (2)0.020 (2)0.003 (2)
C170.052 (3)0.030 (3)0.049 (3)0.003 (2)0.035 (3)0.005 (2)
C180.052 (3)0.024 (2)0.036 (3)0.007 (2)0.026 (3)0.0020 (19)
C190.041 (3)0.027 (3)0.042 (3)0.001 (2)0.018 (2)0.005 (2)
C200.038 (3)0.036 (3)0.049 (3)0.005 (2)0.016 (3)0.001 (2)
C210.049 (4)0.039 (3)0.083 (4)0.003 (2)0.033 (3)0.005 (3)
C220.043 (3)0.057 (4)0.066 (4)0.008 (3)0.010 (3)0.010 (3)
C230.067 (4)0.058 (4)0.044 (3)0.016 (3)0.017 (3)0.003 (2)
C240.056 (4)0.034 (3)0.039 (3)0.009 (2)0.020 (3)0.003 (2)
Geometric parameters (Å, º) top
Cd1—N22.263 (4)C3—C81.397 (6)
Cd1—N42.281 (3)C4—C51.371 (7)
Cd1—N62.366 (4)C4—H4A0.9300
Cd1—O52.369 (3)C5—C61.389 (7)
Cd1—O12.515 (4)C5—H5A0.9300
Cd1—O42.539 (3)C6—C71.375 (7)
Cd1—N12.602 (3)C6—H6A0.9300
N1—C171.449 (5)C7—C81.382 (6)
N1—C91.470 (5)C7—H7A0.9300
N1—C11.472 (5)C9—C101.491 (6)
N2—C21.328 (5)C9—H9A0.9700
N2—C31.411 (5)C9—H9B0.9700
N3—C21.339 (5)C11—C161.379 (5)
N3—C81.391 (5)C11—C121.385 (6)
N3—H3A0.8600C12—C131.387 (6)
N4—C101.305 (5)C12—H12A0.9300
N4—C111.395 (5)C13—C141.374 (6)
N5—C101.346 (5)C13—H13A0.9300
N5—C161.392 (5)C14—C151.360 (7)
N5—H5B0.8600C14—H14A0.9300
N6—C181.324 (5)C15—C161.400 (6)
N6—C191.397 (5)C15—H15A0.9300
N7—C181.342 (5)C17—C181.484 (6)
N7—C241.364 (6)C17—H17A0.9700
N7—H7B0.8600C17—H17B0.9700
N8—O21.227 (5)C19—C201.385 (6)
N8—O31.252 (5)C19—C241.405 (6)
N8—O11.252 (5)C20—C211.371 (6)
N9—O61.226 (4)C20—H20A0.9300
N9—O41.253 (4)C21—C221.392 (7)
N9—O51.264 (4)C21—H21A0.9300
C1—C21.488 (6)C22—C231.387 (7)
C1—H1A0.9700C22—H22A0.9300
C1—H1B0.9700C23—C241.390 (7)
C3—C41.377 (6)C23—H23A0.9300
N2—Cd1—N4116.38 (12)C3—C4—H4A121.8
N2—Cd1—N6107.51 (12)C4—C5—C6122.2 (5)
N4—Cd1—N6100.99 (12)C4—C5—H5A118.9
N2—Cd1—O5140.83 (11)C6—C5—H5A118.9
N4—Cd1—O591.68 (11)C7—C6—C5122.6 (5)
N6—Cd1—O591.94 (12)C7—C6—H6A118.7
N2—Cd1—O179.27 (12)C5—C6—H6A118.7
N4—Cd1—O183.49 (13)C6—C7—C8114.8 (5)
N6—Cd1—O1168.61 (12)C6—C7—H7A122.6
O5—Cd1—O177.38 (12)C8—C7—H7A122.6
N2—Cd1—O495.99 (12)C7—C8—N3131.1 (5)
N4—Cd1—O4143.77 (12)C7—C8—C3123.1 (5)
N6—Cd1—O482.92 (11)N3—C8—C3105.8 (4)
O5—Cd1—O452.10 (10)N1—C9—C10110.2 (3)
O1—Cd1—O487.32 (12)N1—C9—H9A109.6
N2—Cd1—N169.93 (12)C10—C9—H9A109.6
N4—Cd1—N169.98 (11)N1—C9—H9B109.6
N6—Cd1—N168.48 (12)C10—C9—H9B109.6
O5—Cd1—N1148.96 (11)H9A—C9—H9B108.1
O1—Cd1—N1122.86 (12)N4—C10—N5111.7 (4)
O4—Cd1—N1141.24 (10)N4—C10—C9124.9 (4)
C17—N1—C9112.0 (3)N5—C10—C9123.1 (4)
C17—N1—C1112.4 (3)C16—C11—C12120.9 (4)
C9—N1—C1112.1 (3)C16—C11—N4108.6 (3)
C17—N1—Cd1107.0 (2)C12—C11—N4130.4 (4)
C9—N1—Cd1108.4 (2)C11—C12—C13116.8 (4)
C1—N1—Cd1104.4 (2)C11—C12—H12A121.6
C2—N2—C3104.9 (4)C13—C12—H12A121.6
C2—N2—Cd1118.1 (3)C14—C13—C12121.7 (4)
C3—N2—Cd1137.0 (3)C14—C13—H13A119.1
C2—N3—C8107.3 (3)C12—C13—H13A119.1
C2—N3—H3A126.3C15—C14—C13122.3 (4)
C8—N3—H3A126.3C15—C14—H14A118.9
C10—N4—C11106.6 (3)C13—C14—H14A118.9
C10—N4—Cd1119.3 (3)C14—C15—C16116.5 (5)
C11—N4—Cd1134.0 (3)C14—C15—H15A121.8
C10—N5—C16107.6 (3)C16—C15—H15A121.8
C10—N5—H5B126.2C11—C16—N5105.4 (4)
C16—N5—H5B126.2C11—C16—C15121.8 (4)
C18—N6—C19105.5 (4)N5—C16—C15132.8 (4)
C18—N6—Cd1116.4 (3)N1—C17—C18110.0 (3)
C19—N6—Cd1138.0 (3)N1—C17—H17A109.7
C18—N7—C24108.1 (4)C18—C17—H17A109.7
C18—N7—H7B126.0N1—C17—H17B109.7
C24—N7—H7B126.0C18—C17—H17B109.7
O2—N8—O3119.0 (5)H17A—C17—H17B108.2
O2—N8—O1120.7 (5)N6—C18—N7112.4 (4)
O3—N8—O1120.2 (5)N6—C18—C17124.0 (4)
O6—N9—O4121.5 (4)N7—C18—C17123.5 (4)
O6—N9—O5120.2 (4)C20—C19—N6131.0 (4)
O4—N9—O5118.3 (3)C20—C19—C24120.8 (5)
N8—O1—Cd1131.2 (3)N6—C19—C24108.2 (4)
N9—O4—Cd190.3 (2)C21—C20—C19117.2 (5)
N9—O5—Cd198.1 (2)C21—C20—H20A121.4
N1—C1—C2108.9 (3)C19—C20—H20A121.4
N1—C1—H1A109.9C20—C21—C22122.9 (5)
C2—C1—H1A109.9C20—C21—H21A118.5
N1—C1—H1B109.9C22—C21—H21A118.5
C2—C1—H1B109.9C23—C22—C21120.2 (5)
H1A—C1—H1B108.3C23—C22—H22A119.9
N2—C2—N3113.3 (4)C21—C22—H22A119.9
N2—C2—C1123.0 (4)C22—C23—C24117.6 (5)
N3—C2—C1123.7 (4)C22—C23—H23A121.2
C4—C3—C8121.0 (4)C24—C23—H23A121.2
C4—C3—N2130.4 (4)N7—C24—C23132.9 (5)
C8—C3—N2108.7 (4)N7—C24—C19105.9 (4)
C5—C4—C3116.4 (5)C23—C24—C19121.2 (5)
C5—C4—H4A121.8
N2—Cd1—N1—C1788.9 (3)C3—N2—C2—N31.2 (5)
N4—Cd1—N1—C17141.6 (3)Cd1—N2—C2—N3178.0 (3)
N6—Cd1—N1—C1730.3 (2)C3—N2—C2—C1177.2 (4)
O5—Cd1—N1—C1784.6 (3)Cd1—N2—C2—C13.6 (5)
O1—Cd1—N1—C17150.7 (2)C8—N3—C2—N20.7 (5)
O4—Cd1—N1—C1715.0 (3)C8—N3—C2—C1177.8 (4)
N2—Cd1—N1—C9150.1 (3)N1—C1—C2—N234.2 (5)
N4—Cd1—N1—C920.6 (3)N1—C1—C2—N3147.4 (4)
N6—Cd1—N1—C990.6 (3)C2—N2—C3—C4178.1 (5)
O5—Cd1—N1—C936.4 (4)Cd1—N2—C3—C42.9 (7)
O1—Cd1—N1—C988.3 (3)C2—N2—C3—C81.3 (5)
O4—Cd1—N1—C9136.0 (3)Cd1—N2—C3—C8177.7 (3)
N2—Cd1—N1—C130.5 (2)C8—C3—C4—C52.0 (7)
N4—Cd1—N1—C199.1 (2)N2—C3—C4—C5178.7 (5)
N6—Cd1—N1—C1149.7 (3)C3—C4—C5—C61.7 (8)
O5—Cd1—N1—C1156.0 (2)C4—C5—C6—C71.4 (9)
O1—Cd1—N1—C131.3 (3)C5—C6—C7—C81.3 (8)
O4—Cd1—N1—C1104.4 (3)C6—C7—C8—N3179.2 (5)
N4—Cd1—N2—C238.8 (3)C6—C7—C8—C31.7 (7)
N6—Cd1—N2—C273.6 (3)C2—N3—C8—C7179.0 (5)
O5—Cd1—N2—C2170.1 (3)C2—N3—C8—C30.2 (5)
O1—Cd1—N2—C2115.9 (3)C4—C3—C8—C72.1 (7)
O4—Cd1—N2—C2158.0 (3)N2—C3—C8—C7178.4 (4)
N1—Cd1—N2—C215.2 (3)C4—C3—C8—N3178.6 (4)
N4—Cd1—N2—C3142.4 (4)N2—C3—C8—N30.9 (5)
N6—Cd1—N2—C3105.3 (4)C17—N1—C9—C10145.9 (4)
O5—Cd1—N2—C311.0 (5)C1—N1—C9—C1086.6 (4)
O1—Cd1—N2—C365.2 (4)Cd1—N1—C9—C1028.2 (4)
O4—Cd1—N2—C320.9 (4)C11—N4—C10—N50.5 (5)
N1—Cd1—N2—C3163.7 (4)Cd1—N4—C10—N5179.1 (3)
N2—Cd1—N4—C1063.1 (3)C11—N4—C10—C9175.0 (4)
N6—Cd1—N4—C1052.9 (3)Cd1—N4—C10—C94.6 (6)
O5—Cd1—N4—C10145.2 (3)C16—N5—C10—N40.2 (5)
O1—Cd1—N4—C10137.7 (3)C16—N5—C10—C9174.8 (4)
O4—Cd1—N4—C10145.9 (3)N1—C9—C10—N424.8 (6)
N1—Cd1—N4—C109.1 (3)N1—C9—C10—N5161.3 (4)
N2—Cd1—N4—C11117.5 (4)C10—N4—C11—C160.5 (5)
N6—Cd1—N4—C11126.5 (4)Cd1—N4—C11—C16178.9 (3)
O5—Cd1—N4—C1134.2 (4)C10—N4—C11—C12178.9 (5)
O1—Cd1—N4—C1142.9 (4)Cd1—N4—C11—C120.6 (7)
O4—Cd1—N4—C1133.4 (5)C16—C11—C12—C130.1 (6)
N1—Cd1—N4—C11171.5 (4)N4—C11—C12—C13178.3 (4)
N2—Cd1—N6—C1842.3 (3)C11—C12—C13—C140.0 (7)
N4—Cd1—N6—C1880.1 (3)C12—C13—C14—C150.1 (8)
O5—Cd1—N6—C18172.2 (3)C13—C14—C15—C160.4 (7)
O1—Cd1—N6—C18167.6 (5)C12—C11—C16—N5178.9 (4)
O4—Cd1—N6—C18136.4 (3)N4—C11—C16—N50.4 (5)
N1—Cd1—N6—C1816.9 (3)C12—C11—C16—C150.4 (7)
N2—Cd1—N6—C19132.0 (4)N4—C11—C16—C15178.9 (4)
N4—Cd1—N6—C19105.6 (4)C10—N5—C16—C110.1 (5)
O5—Cd1—N6—C1913.5 (4)C10—N5—C16—C15179.1 (5)
O1—Cd1—N6—C196.7 (8)C14—C15—C16—C110.5 (7)
O4—Cd1—N6—C1937.9 (4)C14—C15—C16—N5178.6 (5)
N1—Cd1—N6—C19168.7 (4)C9—N1—C17—C1879.4 (4)
O2—N8—O1—Cd133.9 (6)C1—N1—C17—C18153.3 (3)
O3—N8—O1—Cd1149.6 (3)Cd1—N1—C17—C1839.2 (4)
N2—Cd1—O1—N875.0 (4)C19—N6—C18—N70.3 (4)
N4—Cd1—O1—N8166.5 (4)Cd1—N6—C18—N7175.7 (2)
N6—Cd1—O1—N852.6 (8)C19—N6—C18—C17177.1 (4)
O5—Cd1—O1—N873.3 (4)Cd1—N6—C18—C171.0 (5)
O4—Cd1—O1—N821.6 (4)C24—N7—C18—N60.2 (5)
N1—Cd1—O1—N8132.4 (4)C24—N7—C18—C17176.5 (4)
O6—N9—O4—Cd1170.8 (4)N1—C17—C18—N629.2 (5)
O5—N9—O4—Cd110.2 (4)N1—C17—C18—N7154.4 (4)
N2—Cd1—O4—N9148.9 (2)C18—N6—C19—C20177.9 (4)
N4—Cd1—O4—N95.1 (3)Cd1—N6—C19—C207.4 (7)
N6—Cd1—O4—N9104.1 (3)C18—N6—C19—C240.8 (4)
O5—Cd1—O4—N96.1 (2)Cd1—N6—C19—C24173.9 (3)
O1—Cd1—O4—N970.0 (3)N6—C19—C20—C21178.5 (4)
N1—Cd1—O4—N9145.9 (2)C24—C19—C20—C213.0 (6)
O6—N9—O5—Cd1169.9 (4)C19—C20—C21—C221.3 (7)
O4—N9—O5—Cd111.1 (4)C20—C21—C22—C230.8 (7)
N2—Cd1—O5—N935.7 (3)C21—C22—C23—C241.3 (7)
N4—Cd1—O5—N9173.4 (2)C18—N7—C24—C23178.7 (5)
N6—Cd1—O5—N985.5 (2)C18—N7—C24—C190.7 (4)
O1—Cd1—O5—N990.5 (2)C22—C23—C24—N7179.7 (5)
O4—Cd1—O5—N96.1 (2)C22—C23—C24—C190.4 (7)
N1—Cd1—O5—N9134.6 (2)C20—C19—C24—N7177.9 (4)
C17—N1—C1—C275.1 (4)N6—C19—C24—N70.9 (4)
C9—N1—C1—C2157.7 (3)C20—C19—C24—C232.6 (6)
Cd1—N1—C1—C240.6 (4)N6—C19—C24—C23178.6 (4)
 

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