Crystallography Open Database

Information card for entry 1519256

1519255 << 1519256 >> 1519257

Preview

Coordinates	1519256.cif

Structure parameters

Formula	C20 H19 Br Cl6 Cu D2 N3
Calculated formula	C20 H19 Br Cl6 Cu D2 N3
Title of publication	catena-((I(1/4)2-3-(Mesityl)-1-((pyrid-2-yl)methyl)imidazol-2-ylidene-C,N)- bromo-copper(i) deuterochloroform solvate)
Authors of publication	Eastham, G.; Hursthouse, Michael B.; Light, Mark E.; Kleinhenz, S.; Danopoulos, A. A.; Tulloch, A. A. D.
Journal of publication	Crystal Structure Report Archive
Year of publication	2000
Pages of publication	115
a	13.1826 ± 0.0002 Å
b	12.8268 ± 0.0002 Å
c	16.4122 ± 0.0003 Å
α	90°
β	105.964 ± 0.001°
γ	90 ± 0.001°
Cell volume	2668.12 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.1755
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1528
Goodness-of-fit parameter for all reflections included in the refinement	0.922
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519256.cif
135598	2015-05-06	cif/ Adding structures of 1519256 via cif-deposit CGI script.	1519256.cif