Crystallography Open Database

Information card for entry 4350110

Preview

Coordinates	4350110.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H48 B2 Cl12 Cu2 N24 S6
Calculated formula	C52 H48 B2 Cl12 Cu2 N24 S6
Title of publication	Synthesis, structure, and electrochemical properties of copper(I) complexes with S/N homoscorpionate and heteroscorpionate ligands.
Authors of publication	Cammi, Roberto; Gennari, Marcello; Giannetto, Marco; Lanfranchi, Maurizio; Marchio, Luciano; Mori, Giovanni; Paiola, Cristiano; Pellinghelli, Maria Angela
Journal of publication	Inorganic chemistry
Year of publication	2005
Journal volume	44
Journal issue	12
Pages of publication	4333 - 4345
a	12.542 ± 0.001 Å
b	13.07 ± 0.001 Å
c	14.215 ± 0.001 Å
α	92.892 ± 0.002°
β	115.559 ± 0.001°
γ	105.716 ± 0.001°
Cell volume	1985.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0936
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1212
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
239744 (current)	2019-11-25	cif/ Adding structures of 4350109, 4350110, 4350111 via cif-deposit CGI script.	4350110.cif