Crystallography Open Database

Information card for entry 4329880

Preview

Coordinates	4329880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H38 B4 Cl Mo2 O Te
Calculated formula	C22 H38 B4 Cl Mo2 O Te
Title of publication	Novel Class of Heterometallic Cubane and Boride Clusters Containing Heavier Group 16 Elements
Authors of publication	Arunabha Thakur; Soumik Sao; V. Ramkumar; Sundargopal Ghosh
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	8322 - 8330
a	15.2196 ± 0.0004 Å
b	16.0129 ± 0.0003 Å
c	22.6286 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	5514.8 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
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	0.0636
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1162
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4329880.cif
79122	2013-04-04	cif/ Adding structures of 4329880 via cif-deposit CGI script.	4329880.cif