Crystallography Open Database

Information card for entry 1519783

1519782 << 1519783 >> 1519784

Preview

Coordinates	1519783.cif

Structure parameters

Formula	C14 H20 Co N2 O4 P2 S4
Calculated formula	C14 H20 Co N2 O4 P2 S4
SMILES	COP1(OC)=[S][Co]2([n]3ccc(cc3)c3ccncc3)(S1)([S]=P(OC)(OC)S2)[n]1ccc(c2cc[n](cc2)[Co]23([S]=P(OC)(OC)S2)[S]=P(OC)(OC)S3)cc1
Title of publication	C14H20Co1N2O4P2S4
Authors of publication	Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.
Journal of publication	Crystal Structure Report Archive
Year of publication	2006
Pages of publication	237
a	11.3361 ± 0.0002 Å
b	11.3717 ± 0.0003 Å
c	8.3386 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1074.93 ± 0.04 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.0206
Residual factor for significantly intense reflections	0.0197
Weighted residual factors for significantly intense reflections	0.0575
Weighted residual factors for all reflections included in the refinement	0.0584
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1519783.cif
137051	2015-05-20	cif/ Adding structures of 1519783 via cif-deposit CGI script.	1519783.cif