Crystallography Open Database

Information card for entry 7058084

Preview

Coordinates	7058084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H34 Cl Cu N P2 Se
Calculated formula	C41 H34 Cl Cu N P2 Se
Title of publication	Copper complexes of arylselenolate-based ligands: synthesis and catalytic activity in azide‒alkyne cycloaddition reactions
Authors of publication	Chauhan, Rohit Singh; Oza, Dhvani; Yadav, Seema; Dash, Chandrakanta; Slawin, Alexandra M. Z.; Shivran, Neelam
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	5
Pages of publication	2381
a	14.4786 ± 0.0002 Å
b	10.12288 ± 0.00017 Å
c	24.3681 ± 0.0004 Å
α	90°
β	93.7253 ± 0.0014°
γ	90°
Cell volume	3563.97 ± 0.1 Å³
Cell temperature	125 K
Ambient diffraction temperature	125 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	0.0355
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224769 (current)	2019-11-08	cif/ Updating files of 7058084 Original log message: Adding full bibliography for 7058084.cif.	7058084.cif
212980	2019-01-11	cif/ Adding structures of 7058084 via cif-deposit CGI script.	7058084.cif