Crystallography Open Database

Information card for entry 4504473

Preview

Coordinates	4504473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 Co N8 O6 S2
Calculated formula	C32 H24 Co N8 O6 S2
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	6.3084 ± 0.0003 Å
b	13.7082 ± 0.0006 Å
c	18.1822 ± 0.0008 Å
α	90°
β	99.075 ± 0.002°
γ	90°
Cell volume	1552.66 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0409
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0871
Weighted residual factors for all reflections included in the refinement	0.0902
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
179579 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/44.	4504473.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504473.cif
45277	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504473 via cif-deposit CGI script.	4504473.cif