Crystallography Open Database

Information card for entry 7055029

Preview

Coordinates	7055029.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	compound-1
Formula	C11 H10 Cl2 Cu N2 Se2
Calculated formula	C11 H10 Cl2 Cu N2 Se2
Title of publication	Metal complexes with bis(2-pyridyl)diselenoethers: structural chemistry and catalysis
Authors of publication	Cargnelutti, Roberta; da Silva, Felipe Dornelles; Abram, Ulrich; Lang, Ernesto Schulz
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	10
Pages of publication	7948
a	11.9328 ± 0.001 Å
b	12.2111 ± 0.001 Å
c	18.6534 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	2718 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0285
Residual factor for significantly intense reflections	0.0203
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	0.852
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7055029.cif
162074	2015-10-09	cif/ Updating files of 7055029, 7055030, 7055031, 7055032, 7055033, 7055034 Original log message: Adding full bibliography for 7055029--7055034.cif.	7055029.cif
152609	2015-07-29	cif/ Adding structures of 7055029, 7055030, 7055031, 7055032, 7055033, 7055034 via cif-deposit CGI script.	7055029.cif