Crystallography Open Database

Information card for entry 4513143

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Coordinates	4513143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H72 B8 Cu6 N48
Calculated formula	C72 H72 B8 Cu6 N48
Title of publication	Self-Assembly of Metal Boron Imidazolate Cages
Authors of publication	Zhang, De-Xiang; Zhang, Hai-Xia; Li, Hong-Yan; Wen, Tian; Zhang, Jian
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	5
Pages of publication	2433
a	22.0954 ± 0.0006 Å
b	22.0954 ± 0.0006 Å
c	22.0954 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	10787.1 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	202
Hermann-Mauguin space group symbol	F m -3
Hall space group symbol	-F 2 2 3
Residual factor for all reflections	0.1506
Residual factor for significantly intense reflections	0.1083
Weighted residual factors for significantly intense reflections	0.3729
Weighted residual factors for all reflections included in the refinement	0.3998
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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