Crystallography Open Database

Information card for entry 4311138

Preview

Coordinates	4311138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H24 Br4 Cu N2
Calculated formula	C10 H24 Br4 Cu N2
Title of publication	Structure and Magnetism of a Spin Ladder System: (C5H9NH3)2CuBr4
Authors of publication	Roger D. Willett; Calin Galeriu; Christopher P. Landee; Mark M. Turnbull; Brendan Twamley
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	3804 - 3811
a	24.111 ± 0.005 Å
b	8.0886 ± 0.0016 Å
c	18.448 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3597.8 ± 1.3 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0954
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.1308
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
179150 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/11.	4311138.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311138.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311138.cif
2630	2010-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4311138 via cif-deposit CGI script.	4311138.cif