Crystallography Open Database

Information card for entry 4342013

4342012 << 4342013 >> 4342014

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Coordinates	4342013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H52 Br6 Cu4 N8
Calculated formula	C24 H52 Br6 Cu4 N8
Title of publication	A new class of cuprous bromide cluster-based hybrid materials: direct observation of the stepwise replacement of hydrogen bonds by coordination bonds.
Authors of publication	Zhang, Xian-Ming; Hou, Juan-Juan; Guo, Cai-Hong; Li, Chun-Fang
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	2
Pages of publication	554 - 559
a	13.3863 ± 0.0006 Å
b	13.3863 ± 0.0006 Å
c	13.3863 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2398.73 ± 0.19 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 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	0.0829
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.206
Weighted residual factors for all reflections included in the refinement	0.2144
Goodness-of-fit parameter for all reflections included in the refinement	1.152
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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