Crystallography Open Database

Information card for entry 4083380

Preview

Coordinates	4083380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H78 Br4 N8 O14 Sb4
Calculated formula	C76 H78 Br4 N8 O12.5 Sb4
Title of publication	Isolation of Tetranuclear Organoantimony Oxo Clusters and Hexa-decanuclear Polyoxostibonates
Authors of publication	Jami, Ananda Kumar; Prabhu, M. Santhana Raj; Baskar, Viswanathan
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	5
Pages of publication	1137
a	12.131 ± 0.003 Å
b	56.572 ± 0.013 Å
c	14.151 ± 0.003 Å
α	90°
β	104.257 ± 0.004°
γ	90°
Cell volume	9412 ± 4 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1065
Residual factor for significantly intense reflections	0.0825
Weighted residual factors for significantly intense reflections	0.1906
Weighted residual factors for all reflections included in the refinement	0.2004
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
178722 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/33.	4083380.cif
114520	2014-05-24	cif/ Adding structures of 4083378, 4083379, 4083380, 4083381, 4083382, 4083383 via cif-deposit CGI script.	4083380.cif