Crystallography Open Database

Information card for entry 4342016

4342015 << 4342016 >> 4342017

Preview

Coordinates	4342016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 Br6 Cu5.27 N8
Calculated formula	C24 Br6 Cu5.2 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	13.4786 ± 0.0003 Å
b	13.4786 ± 0.0003 Å
c	13.4786 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2448.69 ± 0.09 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	4
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.0697
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.2641
Weighted residual factors for all reflections included in the refinement	0.2684
Goodness-of-fit parameter for all reflections included in the refinement	1.242
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179523 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/20.	4342016.cif
130511	2015-02-04	cif/ Updating files of 4342013, 4342014, 4342015, 4342016, 4342017, 4342018, 4342019, 4342020 Original log message: Adding full bibliography for 4342013--4342020.cif.	4342016.cif
129159	2014-12-30	cif/ Adding structures of 4342013, 4342014, 4342015, 4342016, 4342017, 4342018, 4342019, 4342020 via cif-deposit CGI script.	4342016.cif