Crystallography Open Database

Information card for entry 4327553

Preview

Coordinates	4327553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 Br3 Cl2 Cu N2
Calculated formula	C12 H12 Br4 Cl2 N2
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	10.52 ± 0.004 Å
b	8.4238 ± 0.0013 Å
c	10.502 ± 0.004 Å
α	90°
β	108.548 ± 0.012°
γ	90°
Cell volume	882.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0846
Weighted residual factors for all reflections included in the refinement	0.0901
Goodness-of-fit parameter for all reflections included in the refinement	1.163
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.	4327553.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327553.cif
61375	2012-07-04	cif/ Adding structures of 4327553 via cif-deposit CGI script.	4327553.cif