Crystallography Open Database

Information card for entry 4121066

Preview

Coordinates	4121066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2.88 H2.88 Cl0.08 N0.72 Ni0.16
Calculated formula	C2.88 H2.88 Cl0.08 N0.72 Ni0.16
Title of publication	Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation
Authors of publication	Xiao-Ping Zhou; Yuan Wu; Dan Li
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	16062 - 16065
a	20.8988 ± 0.0002 Å
b	20.8988 ± 0.0002 Å
c	20.8988 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	9127.76 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	217
Hermann-Mauguin space group symbol	I -4 3 m
Hall space group symbol	I -4 2 3
Residual factor for all reflections	0.0384
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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