Crystallography Open Database

Information card for entry 4504493

Preview

Coordinates	4504493.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H47 Cd Cl2 N12 O10.5
Calculated formula	C54 H42 Cd Cl2 N12 O10.5
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	12.485 ± 0.005 Å
b	15.142 ± 0.006 Å
c	15.19 ± 0.006 Å
α	83.104 ± 0.007°
β	75.796 ± 0.007°
γ	79.584 ± 0.007°
Cell volume	2729.3 ± 1.9 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	0.131
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1376
Weighted residual factors for all reflections included in the refinement	0.1646
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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