Crystallography Open Database

Information card for entry 4504494

Preview

Coordinates	4504494.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H42 Cl4 Cu2 N12 O19
Calculated formula	C40 H36 Cl4 Cu2 N12 O19
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	10.791 ± 0.004 Å
b	13.923 ± 0.007 Å
c	19.756 ± 0.009 Å
α	72.297 ± 0.012°
β	78.201 ± 0.014°
γ	68.683 ± 0.013°
Cell volume	2619 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.2458
Residual factor for significantly intense reflections	0.1352
Weighted residual factors for significantly intense reflections	0.325
Weighted residual factors for all reflections included in the refinement	0.3906
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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