Crystallography Open Database

Information card for entry 7238354

Preview

Coordinates	7238354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H45 Cu F6 O P4 S
Calculated formula	C55 H45 Cu F6 O P4 S
Title of publication	Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions
Authors of publication	Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	7
Pages of publication	2742
a	11.476 ± 0.002 Å
b	26.337 ± 0.005 Å
c	16.155 ± 0.003 Å
α	90°
β	92.18 ± 0.03°
γ	90°
Cell volume	4879.2 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0594
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1241
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	1.225
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
244127 (current)	2019-11-28	cif/ Adding structures of 7238354, 7238355, 7238356, 7238357, 7238358, 7238359, 7238360, 7238361 via cif-deposit CGI script.	7238354.cif