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Acta Cryst. (2009). E65, m1280    [ doi:10.1107/S1600536809038768 ]

Bis[2-(1H-1,2,4-triazol-1-yl-[kappa]N2)-1,10-phenanthroline-[kappa]2N,N']cadmium(II) bis(perchlorate)

H. L. Li

Abstract top

In the title complex, [Cd(C14H9N5)2](ClO4)2, the CdII ion is coordinated by two tridentate 2-(1H-1,2,4-triazol-1-yl)-1,10-phenanthroline ligands in a distorted octahedral CdN6 environment. In both 2-(1H-1,2,4-triazol-1-yl)-1,10-phenanthroline ligands, the 1,2,4-triazolyl ring and the 1,10-phenanthroline ring system are essentially coplanar [maximun deviations of 0.136 (7) and 0.273 (5) Å, respectively]. The dihedral angle between the mean planes of the ligands is 89.65 (4)°. In the crystal structure, there is a weak [pi]-[pi] stacking interaction between a pyridine ring and a symmetry-related benzene ring with a centroid-centroid distance of 3.772 (3) Å.

Comment top

Derivatives of 1,10-phenanthroline play an important role in modern coordination chemistry (see e.g. Li, 2008; Liu et al. 2008), but until now the crystal structure of complexes with 2-(1H-1,2,4-triazol-1-yl)-1,10-phenanthroline as a ligand have not been reported. The crystal structure of the title complex is reported herein.

The asymmetric unit of the title complex is shown in Fig. 1. The CdII ion is coordinated in a distorted octahedral environment. In both 2-(1H-1,2,4-triazol-1-yl)-1,10-phenanthroline ligands, the 1,2,4-triazolyl ring and the 1,10-phenanthroline ring system are essentially co-planar within 0.0657 Å (for the ligand containing atom N1) and 0.1073 Å (for the ligand containing atom N6) with a maximun deviations of 0.136 (7) Å and 0.273 (5) Å for atom C6 and atom C27, respectively, and the dihedral angle between the two planes is 89.65 (4)°. In the crystal structure, there is a weak π–π stacking interaction involving a symmetry pyridine ring and symmetry related benzene ring, with the relevant distances being Cg1···Cg2i = 3.772 (3) Å and Cg1···Cg2iperp = 3.517 Å [symmetry code: (i) 1 - x, -y, 1 - z; Cg1 and Cg2 are the centroids of C1—C5/N2 ring and C4—C9 ring].

Related literature top

For related structures, see: Li (2008); Liu et al. (2008).

Experimental top

5 ml H2O solution of hydrated cadmium perchlorate (0.0535 g, 0.128 mmol) was added into 10 ml methanol solution of 2-(1H-1,2,4-triazol-1-yl)-1,10-phenanthroline (0.0631 g, 0.255 mmol) and the mixed soluton was stirred for a few minutes. Yellow single crystals were obtained after the filtrate was allowed to stand at room temperature for two weeks.

Refinement top

All H atoms were placed in calculated positions and refined as riding with C—H = 0.93Å and Uiso = 1.2Ueq(C).

Computing details top

Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT (Bruker, 1997); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. The asymmetric unit of the title compound with the atom-numbering scheme and displacement ellipsoids shown at the 30% probability level
Bis[2-(1H-1,2,4-triazol-1-yl-κN1)-1,10-phenanthroline- κ2N,N']cadmium(II) bis(perchlorate) top
Crystal data top
[Cd(C14H9N5)2](ClO4)2F(000) = 3216
Mr = 805.82Dx = 1.770 Mg m−3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2ycCell parameters from 6564 reflections
a = 16.894 (3) Åθ = 2.6–27.7°
b = 26.153 (5) ŵ = 0.97 mm−1
c = 15.574 (3) ÅT = 298 K
β = 118.482 (2)°Block, yellow
V = 6048 (2) Å30.39 × 0.34 × 0.29 mm
Z = 8
Data collection top
Bruker SMART APEX CCD
diffractometer		6543 independent reflections
Radiation source: fine-focus sealed tube4596 reflections with I > 2σ(I)
graphiteRint = 0.042
φ and ω scansθmax = 27.0°, θmin = 1.6°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		h = −21→21
Tmin = 0.704, Tmax = 0.766k = −28→33
17197 measured reflectionsl = −19→19
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)] = 0.054Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.162H-atom parameters constrained
S = 1.08 w = 1/[σ2(Fo2) + (0.0899P)2 + 4.5706P]
where P = (Fo2 + 2Fc2)/3
6543 reflections(Δ/σ)max = 0.008
442 parametersΔρmax = 1.44 e Å−3
0 restraintsΔρmin = −0.47 e Å−3
Crystal data top
[Cd(C14H9N5)2](ClO4)2V = 6048 (2) Å3
Mr = 805.82Z = 8
Monoclinic, C2/cMo Kα radiation
a = 16.894 (3) ŵ = 0.97 mm−1
b = 26.153 (5) ÅT = 298 K
c = 15.574 (3) Å0.39 × 0.34 × 0.29 mm
β = 118.482 (2)°
Data collection top
Bruker SMART APEX CCD
diffractometer		6543 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		4596 reflections with I > 2σ(I)
Tmin = 0.704, Tmax = 0.766Rint = 0.042
17197 measured reflectionsθmax = 27.0°
Refinement top
R[F2 > 2σ(F2)] = 0.054H-atom parameters constrained
wR(F2) = 0.162Δρmax = 1.44 e Å−3
S = 1.08Δρmin = −0.47 e Å−3
6543 reflectionsAbsolute structure: ?
442 parametersFlack parameter: ?
0 restraintsRogers parameter: ?
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
C10.5127 (3)0.1182 (2)0.4227 (5)0.0694 (16)
H10.51500.15320.43380.083*
C20.5935 (4)0.0909 (3)0.4576 (5)0.0799 (19)
H20.64830.10790.49150.096*
C30.5919 (3)0.0404 (2)0.4420 (5)0.0727 (17)
H30.64560.02240.46420.087*
C40.5090 (3)0.0145 (2)0.3922 (4)0.0592 (13)
C50.4305 (3)0.04410 (17)0.3603 (4)0.0475 (11)
C60.5000 (4)−0.0394 (2)0.3739 (5)0.0759 (18)
H60.5516−0.05880.39130.091*
C70.4194 (4)−0.0627 (2)0.3325 (5)0.0731 (17)
H70.4163−0.09800.32470.088*
C80.3382 (3)−0.03361 (17)0.3001 (4)0.0486 (11)
C90.3439 (3)0.01938 (17)0.3114 (3)0.0427 (10)
C100.2515 (4)−0.05463 (18)0.2560 (4)0.0586 (13)
H100.2449−0.08990.24960.070*
C110.1767 (3)−0.02478 (17)0.2222 (4)0.0516 (12)
H110.1190−0.03870.19160.062*
C120.1911 (3)0.02789 (15)0.2361 (3)0.0391 (9)
C130.0294 (3)0.05598 (18)0.1521 (4)0.0597 (14)
H130.00130.02430.13280.072*
C140.0545 (4)0.1336 (2)0.1739 (5)0.082 (2)
H140.04450.16860.17190.099*
C150.3177 (4)0.1891 (2)0.1320 (4)0.0642 (14)
H150.29540.15840.09920.077*
C160.3438 (4)0.2265 (3)0.0876 (5)0.0733 (16)
H160.34130.22020.02760.088*
C170.3730 (4)0.2721 (2)0.1323 (5)0.0706 (16)
H170.39020.29740.10260.085*
C180.3535 (3)0.24079 (16)0.2655 (4)0.0453 (11)
C190.3776 (3)0.28132 (19)0.2236 (4)0.0580 (14)
C200.4052 (3)0.3288 (2)0.2756 (5)0.0639 (15)
H200.42120.35580.24800.077*
C210.4088 (3)0.33548 (18)0.3603 (5)0.0650 (16)
H210.42770.36690.39160.078*
C220.3583 (3)0.24799 (16)0.3577 (4)0.0453 (11)
C230.3839 (3)0.29504 (16)0.4074 (4)0.0508 (12)
C240.3833 (3)0.29919 (18)0.4969 (4)0.0565 (14)
H240.39660.33040.52930.068*
C250.3637 (3)0.25823 (19)0.5368 (4)0.0537 (12)
H250.36480.26040.59690.064*
C260.3419 (3)0.21271 (17)0.4836 (3)0.0449 (11)
C270.3297 (4)0.1559 (2)0.6069 (4)0.0661 (14)
H270.35770.17660.66190.079*
C280.2613 (3)0.0968 (2)0.5116 (4)0.0598 (13)
H280.23020.06630.48790.072*
Cd10.28772 (2)0.135509 (12)0.30429 (3)0.04704 (15)
Cl10.13943 (10)0.06057 (5)0.95941 (12)0.0702 (4)
Cl20.10794 (8)0.28026 (5)0.15282 (10)0.0570 (3)
N10.2704 (2)0.04897 (13)0.2791 (3)0.0386 (8)
N20.4328 (3)0.09551 (14)0.3743 (3)0.0531 (10)
N30.1183 (2)0.06236 (13)0.2033 (3)0.0453 (9)
N40.1360 (3)0.11365 (14)0.2175 (3)0.0534 (10)
N5−0.0133 (3)0.09957 (18)0.1326 (5)0.0868 (18)
N60.2755 (3)0.12904 (14)0.4555 (3)0.0503 (9)
N70.2948 (4)0.1110 (2)0.6053 (4)0.0757 (14)
N80.3199 (2)0.16812 (15)0.5189 (3)0.0462 (9)
N90.3383 (2)0.20762 (13)0.3991 (3)0.0412 (8)
N100.3231 (3)0.19511 (15)0.2187 (3)0.0501 (9)
O10.1678 (5)0.0166 (2)0.9378 (7)0.176 (3)
O20.2009 (8)0.0683 (6)1.0566 (7)0.278 (7)
O30.1713 (6)0.1011 (3)0.9279 (7)0.178 (3)
O40.0568 (4)0.0603 (3)0.9342 (11)0.310 (9)
O50.0794 (4)0.2506 (2)0.0682 (4)0.1056 (17)
O60.0358 (3)0.30873 (18)0.1493 (4)0.1030 (17)
O70.1776 (3)0.31420 (17)0.1655 (4)0.1020 (18)
O80.1407 (4)0.24674 (18)0.2350 (3)0.0993 (15)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.042 (3)0.059 (3)0.094 (4)−0.008 (2)0.021 (3)0.006 (3)
C20.038 (3)0.087 (5)0.097 (5)−0.011 (3)0.018 (3)0.015 (4)
C30.038 (3)0.078 (4)0.096 (5)0.008 (3)0.028 (3)0.010 (3)
C40.046 (3)0.062 (3)0.073 (4)0.014 (2)0.031 (3)0.008 (3)
C50.040 (2)0.047 (3)0.055 (3)0.0001 (19)0.021 (2)−0.001 (2)
C60.051 (3)0.063 (4)0.107 (5)0.020 (3)0.032 (3)−0.006 (3)
C70.062 (3)0.048 (3)0.092 (4)0.015 (3)0.023 (3)−0.009 (3)
C80.054 (3)0.039 (2)0.052 (3)0.004 (2)0.026 (2)−0.005 (2)
C90.041 (2)0.043 (2)0.047 (2)0.0028 (18)0.023 (2)−0.0007 (19)
C100.063 (3)0.033 (2)0.074 (4)−0.003 (2)0.028 (3)−0.011 (2)
C110.045 (2)0.037 (2)0.068 (3)−0.0058 (19)0.023 (2)−0.009 (2)
C120.039 (2)0.037 (2)0.039 (2)−0.0017 (17)0.0164 (19)−0.0045 (17)
C130.037 (2)0.039 (2)0.082 (4)−0.0066 (19)0.011 (2)−0.001 (2)
C140.043 (3)0.043 (3)0.115 (5)0.005 (2)0.001 (3)0.000 (3)
C150.064 (3)0.064 (3)0.071 (4)−0.002 (3)0.038 (3)−0.001 (3)
C160.069 (4)0.094 (5)0.068 (4)0.007 (3)0.041 (3)0.012 (3)
C170.056 (3)0.081 (4)0.081 (4)0.005 (3)0.037 (3)0.031 (3)
C180.0301 (19)0.038 (2)0.061 (3)0.0026 (17)0.017 (2)0.005 (2)
C190.037 (2)0.050 (3)0.084 (4)0.006 (2)0.026 (3)0.021 (3)
C200.042 (3)0.047 (3)0.094 (4)0.000 (2)0.026 (3)0.020 (3)
C210.046 (3)0.033 (2)0.094 (4)−0.006 (2)0.015 (3)0.002 (3)
C220.0260 (19)0.035 (2)0.063 (3)0.0003 (16)0.012 (2)0.002 (2)
C230.029 (2)0.034 (2)0.072 (3)0.0014 (17)0.009 (2)0.002 (2)
C240.039 (2)0.043 (3)0.065 (3)0.0014 (19)0.007 (2)−0.020 (2)
C250.035 (2)0.054 (3)0.056 (3)0.004 (2)0.009 (2)−0.013 (2)
C260.0277 (19)0.047 (2)0.052 (3)0.0050 (17)0.0134 (19)−0.005 (2)
C270.072 (4)0.067 (3)0.053 (3)0.002 (3)0.024 (3)−0.001 (3)
C280.053 (3)0.053 (3)0.074 (4)0.006 (2)0.030 (3)0.007 (3)
Cd10.0425 (2)0.0334 (2)0.0606 (3)−0.00736 (12)0.02088 (17)−0.00628 (14)
Cl10.0631 (8)0.0591 (8)0.0876 (11)−0.0039 (6)0.0353 (8)0.0056 (7)
Cl20.0429 (6)0.0549 (7)0.0676 (8)−0.0099 (5)0.0218 (6)−0.0054 (6)
N10.0362 (17)0.0336 (17)0.0435 (19)0.0004 (14)0.0170 (16)−0.0021 (15)
N20.040 (2)0.045 (2)0.070 (3)−0.0043 (16)0.023 (2)0.0012 (19)
N30.0385 (18)0.0323 (18)0.055 (2)−0.0049 (14)0.0139 (17)−0.0016 (16)
N40.042 (2)0.0306 (18)0.073 (3)−0.0002 (16)0.015 (2)−0.0007 (18)
N50.037 (2)0.054 (3)0.124 (4)−0.001 (2)0.002 (3)0.001 (3)
N60.045 (2)0.046 (2)0.056 (2)−0.0054 (16)0.0210 (19)−0.0009 (18)
N70.092 (4)0.078 (3)0.069 (3)0.004 (3)0.048 (3)0.011 (3)
N80.0382 (19)0.052 (2)0.046 (2)0.0004 (16)0.0179 (17)−0.0018 (18)
N90.0326 (17)0.0335 (18)0.053 (2)0.0004 (14)0.0171 (16)−0.0003 (16)
N100.047 (2)0.049 (2)0.056 (2)0.0022 (17)0.0256 (19)0.0061 (18)
O10.150 (6)0.085 (4)0.294 (10)0.035 (4)0.106 (6)0.011 (5)
O20.228 (11)0.47 (2)0.156 (8)−0.129 (12)0.111 (8)−0.059 (10)
O30.188 (7)0.104 (5)0.223 (8)−0.025 (5)0.083 (6)0.050 (5)
O40.064 (4)0.128 (6)0.64 (2)−0.014 (4)0.089 (8)−0.112 (9)
O50.125 (4)0.123 (4)0.086 (3)−0.046 (3)0.065 (3)−0.039 (3)
O60.053 (2)0.088 (3)0.156 (5)−0.001 (2)0.040 (3)−0.016 (3)
O70.052 (2)0.072 (3)0.172 (5)−0.018 (2)0.045 (3)−0.001 (3)
O80.126 (4)0.080 (3)0.085 (3)−0.011 (3)0.045 (3)0.005 (2)
Geometric parameters (Å, °) top
C1—N21.331 (6)C18—C191.403 (6)
C1—C21.399 (8)C18—C221.412 (7)
C1—H10.9300C19—C201.434 (8)
C2—C31.343 (8)C20—C211.304 (9)
C2—H20.9300C20—H200.9300
C3—C41.409 (7)C21—C231.458 (7)
C3—H30.9300C21—H210.9300
C4—C51.406 (6)C22—N91.362 (6)
C4—C61.430 (8)C22—C231.407 (6)
C5—N21.359 (6)C23—C241.403 (8)
C5—C91.440 (6)C24—C251.356 (7)
C6—C71.343 (8)C24—H240.9300
C6—H60.9300C25—C261.396 (6)
C7—C81.435 (7)C25—H250.9300
C7—H70.9300C26—N91.294 (6)
C8—C91.395 (6)C26—N81.413 (6)
C8—C101.400 (7)C27—N71.310 (8)
C9—N11.340 (5)C27—N81.338 (7)
C10—C111.359 (7)C27—H270.9300
C10—H100.9300C28—N61.316 (6)
C11—C121.398 (6)C28—N71.341 (7)
C11—H110.9300C28—H280.9300
C12—N11.300 (5)Cd1—N12.292 (3)
C12—N31.410 (5)Cd1—N92.295 (3)
C13—N51.305 (6)Cd1—N102.307 (4)
C13—N31.333 (6)Cd1—N42.327 (4)
C13—H130.9300Cd1—N22.396 (4)
C14—N41.318 (7)Cd1—N62.465 (4)
C14—N51.347 (7)Cl1—O41.257 (7)
C14—H140.9300Cl1—O11.349 (7)
C15—N101.319 (7)Cl1—O31.380 (7)
C15—C161.385 (8)Cl1—O21.382 (10)
C15—H150.9300Cl2—O51.402 (5)
C16—C171.350 (8)Cl2—O61.407 (5)
C16—H160.9300Cl2—O71.410 (4)
C17—C191.408 (9)Cl2—O81.428 (5)
C17—H170.9300N3—N41.369 (5)
C18—N101.366 (6)N6—N81.370 (5)
N2—C1—C2122.1 (5)C25—C24—C23120.9 (4)
N2—C1—H1119.0C25—C24—H24119.6
C2—C1—H1119.0C23—C24—H24119.6
C3—C2—C1120.0 (5)C24—C25—C26117.1 (5)
C3—C2—H2120.0C24—C25—H25121.5
C1—C2—H2120.0C26—C25—H25121.5
C2—C3—C4120.1 (5)N9—C26—C25124.2 (5)
C2—C3—H3119.9N9—C26—N8114.7 (4)
C4—C3—H3119.9C25—C26—N8121.1 (5)
C5—C4—C3116.9 (5)N7—C27—N8111.1 (5)
C5—C4—C6118.7 (5)N7—C27—H27124.5
C3—C4—C6124.4 (5)N8—C27—H27124.5
N2—C5—C4122.5 (4)N6—C28—N7115.5 (5)
N2—C5—C9118.3 (4)N6—C28—H28122.3
C4—C5—C9119.2 (4)N7—C28—H28122.3
C7—C6—C4122.0 (5)N1—Cd1—N9154.12 (13)
C7—C6—H6119.0N1—Cd1—N10127.99 (14)
C4—C6—H6119.0N9—Cd1—N1072.38 (14)
C6—C7—C8120.6 (5)N1—Cd1—N469.07 (12)
C6—C7—H7119.7N9—Cd1—N4122.99 (13)
C8—C7—H7119.7N10—Cd1—N4110.32 (14)
C9—C8—C10116.4 (4)N1—Cd1—N270.49 (12)
C9—C8—C7119.1 (4)N9—Cd1—N294.59 (13)
C10—C8—C7124.5 (4)N10—Cd1—N293.84 (14)
N1—C9—C8122.0 (4)N4—Cd1—N2139.56 (13)
N1—C9—C5117.7 (4)N1—Cd1—N691.92 (12)
C8—C9—C5120.3 (4)N9—Cd1—N667.45 (13)
C11—C10—C8121.7 (4)N10—Cd1—N6139.53 (14)
C11—C10—H10119.1N4—Cd1—N688.13 (15)
C8—C10—H10119.1N2—Cd1—N693.95 (14)
C10—C11—C12116.4 (4)O4—Cl1—O1113.0 (5)
C10—C11—H11121.8O4—Cl1—O3117.2 (7)
C12—C11—H11121.8O1—Cl1—O3108.7 (6)
N1—C12—C11124.0 (4)O4—Cl1—O2119.1 (9)
N1—C12—N3115.0 (3)O1—Cl1—O2103.1 (8)
C11—C12—N3121.1 (4)O3—Cl1—O293.4 (6)
N5—C13—N3111.7 (4)O5—Cl2—O6110.7 (4)
N5—C13—H13124.1O5—Cl2—O7111.7 (3)
N3—C13—H13124.1O6—Cl2—O7108.8 (3)
N4—C14—N5115.3 (5)O5—Cl2—O8108.4 (3)
N4—C14—H14122.4O6—Cl2—O8108.5 (4)
N5—C14—H14122.4O7—Cl2—O8108.7 (3)
N10—C15—C16123.0 (6)C12—N1—C9119.4 (4)
N10—C15—H15118.5C12—N1—Cd1121.5 (3)
C16—C15—H15118.5C9—N1—Cd1119.1 (3)
C17—C16—C15119.4 (6)C1—N2—C5118.4 (4)
C17—C16—H16120.3C1—N2—Cd1127.2 (4)
C15—C16—H16120.3C5—N2—Cd1114.4 (3)
C16—C17—C19120.2 (5)C13—N3—N4108.4 (3)
C16—C17—H17119.9C13—N3—C12132.6 (4)
C19—C17—H17119.9N4—N3—C12118.8 (3)
N10—C18—C19122.1 (5)C14—N4—N3102.1 (4)
N10—C18—C22118.9 (4)C14—N4—Cd1142.4 (3)
C19—C18—C22118.9 (4)N3—N4—Cd1115.4 (3)
C18—C19—C17116.8 (5)C13—N5—C14102.4 (4)
C18—C19—C20118.7 (5)C28—N6—N8102.1 (4)
C17—C19—C20124.5 (5)C28—N6—Cd1143.4 (4)
C21—C20—C19122.2 (5)N8—N6—Cd1111.8 (3)
C21—C20—H20118.9C27—N7—C28102.8 (5)
C19—C20—H20118.9C27—N8—N6108.6 (4)
C20—C21—C23121.8 (5)C27—N8—C26131.9 (4)
C20—C21—H21119.1N6—N8—C26119.4 (4)
C23—C21—H21119.1C26—N9—C22120.0 (4)
N9—C22—C23119.9 (5)C26—N9—Cd1124.1 (3)
N9—C22—C18118.2 (4)C22—N9—Cd1115.6 (3)
C23—C22—C18121.9 (4)C15—N10—C18118.4 (4)
C24—C23—C22117.9 (4)C15—N10—Cd1126.9 (4)
C24—C23—C21125.7 (5)C18—N10—Cd1114.7 (3)
C22—C23—C21116.4 (5)
N2—C1—C2—C30.3 (11)N4—Cd1—N2—C51.2 (5)
C1—C2—C3—C4−1.2 (11)N6—Cd1—N2—C592.9 (4)
C2—C3—C4—C50.3 (9)N5—C13—N3—N4−0.9 (7)
C2—C3—C4—C6−178.5 (7)N5—C13—N3—C12−175.9 (5)
C3—C4—C5—N21.4 (8)N1—C12—N3—C13175.5 (5)
C6—C4—C5—N2−179.7 (6)C11—C12—N3—C13−4.6 (8)
C3—C4—C5—C9−178.3 (5)N1—C12—N3—N40.9 (6)
C6—C4—C5—C90.6 (8)C11—C12—N3—N4−179.2 (5)
C5—C4—C6—C7−3.9 (10)N5—C14—N4—N3−0.6 (8)
C3—C4—C6—C7174.9 (7)N5—C14—N4—Cd1179.9 (5)
C4—C6—C7—C83.3 (11)C13—N3—N4—C140.8 (6)
C6—C7—C8—C90.6 (9)C12—N3—N4—C14176.6 (5)
C6—C7—C8—C10179.8 (6)C13—N3—N4—Cd1−179.4 (4)
C10—C8—C9—N1−2.0 (7)C12—N3—N4—Cd1−3.6 (5)
C7—C8—C9—N1177.2 (5)N1—Cd1—N4—C14−177.1 (8)
C10—C8—C9—C5176.9 (5)N9—Cd1—N4—C1428.8 (8)
C7—C8—C9—C5−3.8 (8)N10—Cd1—N4—C14−52.9 (8)
N2—C5—C9—N12.4 (7)N2—Cd1—N4—C14−175.9 (7)
C4—C5—C9—N1−177.8 (4)N6—Cd1—N4—C1490.2 (8)
N2—C5—C9—C8−176.5 (5)N1—Cd1—N4—N33.4 (3)
C4—C5—C9—C83.2 (7)N9—Cd1—N4—N3−150.8 (3)
C9—C8—C10—C112.7 (8)N10—Cd1—N4—N3127.5 (3)
C7—C8—C10—C11−176.5 (6)N2—Cd1—N4—N34.5 (5)
C8—C10—C11—C12−1.5 (8)N6—Cd1—N4—N3−89.4 (3)
C10—C11—C12—N1−0.5 (8)N3—C13—N5—C140.5 (8)
C10—C11—C12—N3179.5 (5)N4—C14—N5—C130.1 (10)
N10—C15—C16—C17−2.7 (9)N7—C28—N6—N8−1.9 (6)
C15—C16—C17—C190.6 (9)N7—C28—N6—Cd1155.8 (4)
N10—C18—C19—C17−2.9 (7)N1—Cd1—N6—C28−3.2 (6)
C22—C18—C19—C17179.1 (4)N9—Cd1—N6—C28−167.1 (6)
N10—C18—C19—C20177.4 (4)N10—Cd1—N6—C28−174.4 (5)
C22—C18—C19—C20−0.7 (6)N4—Cd1—N6—C2865.8 (6)
C16—C17—C19—C182.0 (7)N2—Cd1—N6—C28−73.7 (6)
C16—C17—C19—C20−178.2 (5)N1—Cd1—N6—N8153.3 (3)
C18—C19—C20—C210.1 (7)N9—Cd1—N6—N8−10.6 (3)
C17—C19—C20—C21−179.7 (5)N10—Cd1—N6—N8−17.9 (4)
C19—C20—C21—C23−0.6 (8)N4—Cd1—N6—N8−137.7 (3)
N10—C18—C22—N94.5 (6)N2—Cd1—N6—N882.7 (3)
C19—C18—C22—N9−177.3 (4)N8—C27—N7—C28−1.4 (7)
N10—C18—C22—C23−176.2 (4)N6—C28—N7—C272.1 (7)
C19—C18—C22—C231.9 (6)N7—C27—N8—N60.3 (6)
N9—C22—C23—C24−3.2 (6)N7—C27—N8—C26176.4 (5)
C18—C22—C23—C24177.5 (4)C28—N6—N8—C271.0 (5)
N9—C22—C23—C21176.9 (4)Cd1—N6—N8—C27−165.0 (3)
C18—C22—C23—C21−2.3 (6)C28—N6—N8—C26−175.7 (4)
C20—C21—C23—C24−178.2 (5)Cd1—N6—N8—C2618.4 (4)
C20—C21—C23—C221.7 (7)N9—C26—N8—C27167.5 (5)
C22—C23—C24—C253.8 (6)C25—C26—N8—C27−13.6 (7)
C21—C23—C24—C25−176.4 (4)N9—C26—N8—N6−16.7 (5)
C23—C24—C25—C26−1.8 (6)C25—C26—N8—N6162.1 (4)
C24—C25—C26—N9−0.8 (6)C25—C26—N9—C221.3 (6)
C24—C25—C26—N8−179.6 (4)N8—C26—N9—C22−179.8 (3)
C11—C12—N1—C91.2 (7)C25—C26—N9—Cd1−173.1 (3)
N3—C12—N1—C9−178.9 (4)N8—C26—N9—Cd15.7 (5)
C11—C12—N1—Cd1−177.4 (4)C23—C22—N9—C260.8 (6)
N3—C12—N1—Cd12.5 (5)C18—C22—N9—C26−180.0 (4)
C8—C9—N1—C120.2 (7)C23—C22—N9—Cd1175.7 (3)
C5—C9—N1—C12−178.8 (4)C18—C22—N9—Cd1−5.1 (5)
C8—C9—N1—Cd1178.8 (4)N1—Cd1—N9—C26−36.7 (5)
C5—C9—N1—Cd1−0.2 (5)N10—Cd1—N9—C26177.7 (3)
N9—Cd1—N1—C12119.9 (4)N4—Cd1—N9—C2674.5 (4)
N10—Cd1—N1—C12−103.2 (3)N2—Cd1—N9—C26−89.7 (3)
N4—Cd1—N1—C12−3.3 (3)N6—Cd1—N9—C262.7 (3)
N2—Cd1—N1—C12177.5 (4)N1—Cd1—N9—C22148.6 (3)
N6—Cd1—N1—C1284.0 (3)N10—Cd1—N9—C223.0 (3)
N9—Cd1—N1—C9−58.7 (5)N4—Cd1—N9—C22−100.2 (3)
N10—Cd1—N1—C978.2 (4)N2—Cd1—N9—C2295.6 (3)
N4—Cd1—N1—C9178.1 (4)N6—Cd1—N9—C22−172.0 (3)
N2—Cd1—N1—C9−1.1 (3)C16—C15—N10—C181.9 (8)
N6—Cd1—N1—C9−94.6 (3)C16—C15—N10—Cd1−177.4 (4)
C2—C1—N2—C51.3 (9)C19—C18—N10—C151.0 (6)
C2—C1—N2—Cd1−177.7 (5)C22—C18—N10—C15179.0 (4)
C4—C5—N2—C1−2.2 (8)C19—C18—N10—Cd1−179.7 (3)
C9—C5—N2—C1177.5 (5)C22—C18—N10—Cd1−1.6 (5)
C4—C5—N2—Cd1177.0 (4)N1—Cd1—N10—C1516.8 (5)
C9—C5—N2—Cd1−3.3 (6)N9—Cd1—N10—C15178.6 (4)
N1—Cd1—N2—C1−178.6 (5)N4—Cd1—N10—C15−62.0 (4)
N9—Cd1—N2—C1−20.3 (5)N2—Cd1—N10—C1585.0 (4)
N10—Cd1—N2—C152.3 (5)N6—Cd1—N10—C15−174.4 (4)
N4—Cd1—N2—C1−179.7 (5)N1—Cd1—N10—C18−162.5 (3)
N6—Cd1—N2—C1−87.9 (5)N9—Cd1—N10—C18−0.7 (3)
N1—Cd1—N2—C52.3 (3)N4—Cd1—N10—C18118.7 (3)
N9—Cd1—N2—C5160.6 (4)N2—Cd1—N10—C18−94.3 (3)
N10—Cd1—N2—C5−126.8 (4)N6—Cd1—N10—C186.3 (4)
references
References top

Bruker (1997). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.

Li, J. M. (2008). Acta Cryst. E64, m982.

Liu, Q. S., Liu, L. D. & Shi, J. M. (2008). Acta Cryst. C64, m58–m60.

Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.

Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122.