Crystallography Open Database

Information card for entry 4327554

Preview

Coordinates	4327554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Br5 Cl2 Cu N2
Calculated formula	C12 H12 Br4.9325 Cl2 Cu 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	8.217 ± 0.002 Å
b	14.496 ± 0.004 Å
c	16.993 ± 0.004 Å
α	77.461 ± 0.018°
β	86 ± 0.03°
γ	89.22 ± 0.02°
Cell volume	1971 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1138
Residual factor for significantly intense reflections	0.0706
Weighted residual factors for significantly intense reflections	0.1607
Weighted residual factors for all reflections included in the refinement	0.179
Goodness-of-fit parameter for all reflections included in the refinement	0.923
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.	4327554.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327554.cif
61376	2012-07-04	cif/ Adding structures of 4327554 via cif-deposit CGI script.	4327554.cif