Crystallography Open Database

Information card for entry 8102791

Preview

Coordinates	8102791.cif

Structure parameters

Chemical name	chloro-bis(1,10-phenanthroline)copper(II) o-aminobenzene sulfonate methanol solvate
Formula	C63 H56 Cl2 Cu2 N10 O9 S2
Calculated formula	C63 H41 Cl2 Cu2 N10 O9 S2
Title of publication	Crystal structure of chloro-bis(1,10-phenanthroline)copper(II) o-aminobenzenesulfonate — methanol (2:3), [Cu(C12H8N2)2Cl]2[C6H3NO3S]2 · 3CH3OH, at 120 K
Authors of publication	Bernard Tinant; François Robert; Yann Garcia
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	3
Pages of publication	549
a	10.001 ± 0.003 Å
b	24.613 ± 0.005 Å
c	23.794 ± 0.005 Å
α	90°
β	94.8 ± 0.03°
γ	90°
Cell volume	5836 ± 2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0599
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1514
Weighted residual factors for all reflections included in the refinement	0.156
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102791.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102791.cif
13530	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102791 via cif-deposit CGI script.	8102791.cif