Crystallography Open Database

Information card for entry 2205236

2205235 << 2205236 >> 2205237

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Structure parameters

Chemical name	k^2^O-copper(II)
Formula	C38 H30 Cl2 Cu N10 O8
Calculated formula	C38 H30 Cl2 Cu N10 O8
SMILES	O(Cl(=O)(=O)=O)[Cu]12([n]3c(c4n(c(c5ccccn5)n[n]14)c1ccc(cc1)C)cccc3)([n]1c(c3cccc[n]23)n(c(c2ccccn2)n1)c1ccc(cc1)C)OCl(=O)(=O)=O
Title of publication	<i>trans</i>-Bis[4-(4-methylphenyl)-3,5-di-2-pyridyl-4<i>H</i>-1,2,4-triazole]diperchlorato-κ^2^<i>O</i>-copper(II)
Authors of publication	Zhang, Shu-Ping; Liu, Zhao-Di; Ma, Ji-Long; Yang, Song; Shao, Si-Chang
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	3
Pages of publication	m423 - m424
a	8.398 ± 0.003 Å
b	8.68 ± 0.003 Å
c	13.558 ± 0.004 Å
α	93.725 ± 0.005°
β	91.749 ± 0.004°
γ	106.977 ± 0.004°
Cell volume	942 ± 0.5 Å³
Cell temperature	571 ± 2 K
Ambient diffraction temperature	571 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.11
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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