Crystallography Open Database

Information card for entry 4327555

Preview

Coordinates	4327555.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H5 Br4 Cl Cu N
Calculated formula	C6 H5 Br3.981 Cl Cu N
Title of publication	Bromination of the 3-Chloroanilinium Cation: Structure of a Novel Two-Dimensional Copper(I) Bromide Lattice Prepared via In-Situ Redox Processes
Authors of publication	Roger D. Willett
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	966 - 971
a	7.2177 ± 0.0002 Å
b	29.7188 ± 0.0003 Å
c	10.9309 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2344.69 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0869
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1219
Weighted residual factors for all reflections included in the refinement	0.1304
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179378 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/75.	4327555.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327555.cif
61377	2012-07-04	cif/ Adding structures of 4327555 via cif-deposit CGI script.	4327555.cif