Crystallography Open Database

Information card for entry 4332718

Preview

Coordinates	4332718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H8 Cl Cu N2
Calculated formula	C6 H8 Cl Cu N2
Title of publication	Investigations on the Synthesis, Structures, and Properties of New Copper(I) 2,3-Dimethylpyrazine Coordination Compounds
Authors of publication	Jess, Inke; Näther, Christian
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	18
Pages of publication	7446 - 7454
a	11.5876 ± 0.0006 Å
b	9.4479 ± 0.0005 Å
c	13.1804 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1442.97 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.0779
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
179430 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/27.	4332718.cif
98503	2014-01-30	cif/ Adding structures of 4332718 via cif-deposit CGI script.	4332718.cif