Crystallography Open Database

Information card for entry 4335445

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Coordinates	4335445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H36.5 B4.5 Mo2 S
Calculated formula	C20 H33.5 B4.5 Mo2 S
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	24.2242 ± 0.0009 Å
b	24.2242 ± 0.0009 Å
c	8.3666 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4909.6 ± 0.4 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	0.0724
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.1146
Goodness-of-fit parameter for all reflections included in the refinement	1.234
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.	4335445.cif
101374	2014-02-13	cif/ Adding structures of 4335445 via cif-deposit CGI script.	4335445.cif