Crystallography Open Database

Information card for entry 4335446

Preview

Coordinates	4335446.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H32 B4 Mo2 Se
Calculated formula	C20 H32 B4 Mo2 Se0.996
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	24.3557 ± 0.0003 Å
b	24.3557 ± 0.0003 Å
c	8.4086 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4987.98 ± 0.15 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.1601
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for significantly intense reflections	0.1732
Weighted residual factors for all reflections included in the refinement	0.217
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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.	4335446.cif
101375	2014-02-13	cif/ Adding structures of 4335446 via cif-deposit CGI script.	4335446.cif