Crystallography Open Database

Information card for entry 4504474

Preview

Coordinates	4504474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 Co N4 O5 Se2
Calculated formula	C12 H14 Co N4 O5 Se2
Title of publication	4,4‘-Dipyridyl-N,N‘-dioxide Complexes of Metal-Thiocyanate/Selenocyanate: π-Stacked Molecular Rods as Three-Dimensional Support for Two-Dimensional Polymeric Sheets and Intra/Interchain S···S Interaction Dependent Architecture of the (8) Synthon Driven Assembly of One-Dimensional Polymeric Chains
Authors of publication	Jana, Atish Dipankar; Manna, Subal Chandra; Rosair, Georgina M.; Drew, Michael G. B.; Mostafa, Golam; Ray Chaudhuri, Nirmalendu
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	7
Pages of publication	1365
a	7.3668 ± 0.0008 Å
b	9.8897 ± 0.0011 Å
c	12.0087 ± 0.0013 Å
α	78.997 ± 0.009°
β	80.858 ± 0.009°
γ	87.796 ± 0.009°
Cell volume	847.88 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0759
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	0.878
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4504474.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504474.cif
45278	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504474 via cif-deposit CGI script.	4504474.cif