Crystallography Open Database

Information card for entry 4329806

Preview

Coordinates	4329806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H35 Cu4 F24 N25 O P4 Se7
Calculated formula	C43 H35 Cu4 F24 N25 O P4 Se7
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	11.823 ± 0.003 Å
b	24.824 ± 0.006 Å
c	48.413 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	14209 ± 6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1553
Residual factor for significantly intense reflections	0.0961
Weighted residual factors for significantly intense reflections	0.2224
Weighted residual factors for all reflections included in the refinement	0.2456
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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.	4329806.cif
79047	2013-04-04	cif/ Adding structures of 4329806 via cif-deposit CGI script.	4329806.cif