Crystallography Open Database

Information card for entry 7055031

Preview

Coordinates	7055031.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	compound-3
Formula	C26 H28 Cl2 Cu N4 Se4
Calculated formula	C26 H28 Cl2 Cu N4 Se4
SMILES	c1cccc([n]1[Cu](Cl)([n]1ccccc1[Se]CCC[Se]c1ncccc1)Cl)[Se]CCC[Se]c1ncccc1
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	8.2538 ± 0.001 Å
b	8.7192 ± 0.001 Å
c	11.6817 ± 0.0012 Å
α	87.058 ± 0.009°
β	81.017 ± 0.009°
γ	62.798 ± 0.008°
Cell volume	738.35 ± 0.16 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0498
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	0.781
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
162074 (current)	2015-10-09	cif/ Updating files of 7055029, 7055030, 7055031, 7055032, 7055033, 7055034 Original log message: Adding full bibliography for 7055029--7055034.cif.	7055031.cif
152609	2015-07-29	cif/ Adding structures of 7055029, 7055030, 7055031, 7055032, 7055033, 7055034 via cif-deposit CGI script.	7055031.cif