Crystallography Open Database

Information card for entry 4504497

Preview

Coordinates	4504497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H72 B2 F8 N16 Ni2 O16 S
Calculated formula	C56 H40 B2 F8 N16 Ni2 O16 S
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	13.818 ± 0.008 Å
b	16.645 ± 0.008 Å
c	20.937 ± 0.011 Å
α	109.508 ± 0.01°
β	107.144 ± 0.009°
γ	90.923 ± 0.009°
Cell volume	4302 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2487
Residual factor for significantly intense reflections	0.1125
Weighted residual factors for significantly intense reflections	0.2745
Weighted residual factors for all reflections included in the refinement	0.3636
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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