Crystallography Open Database

Information card for entry 4335447

Preview

Coordinates	4335447.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H34 B5 Mo2 Se
Calculated formula	C20 H34 B5.001 Mo1.923 Se1.001
Title of publication	Hypoelectronic Dimetallaheteroboranes of Group 6 Transition Metals Containing Heavier Chalcogen Elements
Authors of publication	Kiran Kumarvarma Chakrahari; Arunabha Thakur; Bijan Mondal; V. Ramkumar; Sundargopal Ghosh
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7923 - 7932
a	10.852 ± 0.0005 Å
b	16.3337 ± 0.0006 Å
c	14.7432 ± 0.0006 Å
α	90°
β	110.812 ± 0.005°
γ	90°
Cell volume	2442.77 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0475
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1187
Weighted residual factors for all reflections included in the refinement	0.1196
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	4335447.cif
101376	2014-02-13	cif/ Adding structures of 4335447 via cif-deposit CGI script.	4335447.cif