Crystallography Open Database

Information card for entry 4332285

Preview

Coordinates	4332285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H60 Cl28 Cu N4 O12 S2
Calculated formula	C60 H24 Cl28 Cu N4 O12 S2
Title of publication	Coordination Capabilities of a Novel Organic Polychlorotriphenylmethyl Monosulfonate Radical
Authors of publication	Ribas, Xavi; Maspoch, Daniel; Wurst, Klaus; Veciana, Jaume; Rovira, Concepció
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	14
Pages of publication	5383 - 5392
a	8.76 ± 0.003 Å
b	15.449 ± 0.006 Å
c	16.617 ± 0.005 Å
α	84.77 ± 0.02°
β	83.07 ± 0.02°
γ	82.44 ± 0.01°
Cell volume	2206.5 ± 1.3 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 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	0.1689
Residual factor for significantly intense reflections	0.0932
Weighted residual factors for significantly intense reflections	0.1761
Weighted residual factors for all reflections included in the refinement	0.2013
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
179425 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/22.	4332285.cif
98209	2014-01-29	cif/ Adding structures of 4332285 via cif-deposit CGI script.	4332285.cif