Crystallography Open Database

Information card for entry 4504492

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Coordinates	4504492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H34 Cl2 Cu N8 O11
Calculated formula	C36 H28 Cl2 Cu N8 O11
Title of publication	Syntheses, Structure, and Properties of the Metal Complexes with 3-(2-Pyridyl)pyrazole-Based Ligands: Tuning the Complex Structures by Ligand Modifications
Authors of publication	Zou, Ru-Qiang; Liu, Chun-Sen; Huang, Zheng; Hu, Tong-Liang; Bu, Xian-He
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	1
Pages of publication	99
a	13.326 ± 0.004 Å
b	21.715 ± 0.006 Å
c	26.318 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	7616 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.2054
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for significantly intense reflections	0.1541
Weighted residual factors for all reflections included in the refinement	0.2049
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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