Crystallography Open Database

Information card for entry 4309817

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Structure parameters

Formula	C42 H86 Cu4 N6 O18
Calculated formula	C42 H86 Cu4 N6 O18
Title of publication	Syntheses, Structures, and Magnetic Properties of Unusual Nonlinear Polynuclear Copper(II) Complexes Containing Derivatives of 1,2,4-Triazole and Pivalate Ligands
Authors of publication	Jian-Hao Zhou; Ru-Mei Cheng; You Song; Yi-Zhi Li; Zhi Yu; Xue-Tai Chen; Zi-Ling Xue; Xiao-Zeng You
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	8011 - 8022
a	9.933 ± 0.005 Å
b	13.475 ± 0.007 Å
c	13.758 ± 0.007 Å
α	110.756 ± 0.009°
β	101.8 ± 0.009°
γ	104.429 ± 0.009°
Cell volume	1578.1 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0733
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1159
Weighted residual factors for all reflections included in the refinement	0.1202
Goodness-of-fit parameter for all reflections included in the refinement	0.983
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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