Crystallography Open Database

Information card for entry 4329804

Preview

Coordinates	4329804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H26 Cl2 Co N18 O12 Se6
Calculated formula	C30 H26 Cl2 Co N18 O12 Se6
Title of publication	Selenadiazolopyridine: A Synthon for Supramolecular Assembly and Complexes with Metallophilic Interactions
Authors of publication	Goutam Mukherjee; Puspendra Singh; Chandrasekhar Ganguri; Sagar Sharma; Harkesh B. Singh; Nidhi Goel; Udai P. Singh; Ray J. Butcher
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	8128 - 8140
a	8.5454 ± 0.0003 Å
b	11.7953 ± 0.0005 Å
c	11.8973 ± 0.0005 Å
α	78.854 ± 0.004°
β	74.315 ± 0.004°
γ	81.414 ± 0.003°
Cell volume	1126.77 ± 0.08 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.1112
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1249
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179401 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/98.	4329804.cif
79045	2013-04-04	cif/ Adding structures of 4329804 via cif-deposit CGI script.	4329804.cif