Crystallography Open Database

Information card for entry 4335449

Preview

Coordinates	4335449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H15 B5 Te2 W2
Calculated formula	C10 H15 B5 Te2 W2
SMILES	[BH]123[BH]45[BH]678[BH]9%10[W]%11%12%13%14%15%16146([cH]1[cH]%11[cH]%12[cH]%13[cH]%141)[W]146%11%12258([BH]79[Te]%10%15%12)([cH]2[cH]1[cH]4[cH]6[cH]%112)[Te]3%16
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	12.8388 ± 0.0005 Å
b	10.4032 ± 0.0004 Å
c	11.9416 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1594.98 ± 0.11 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1325
Weighted residual factors for all reflections included in the refinement	0.1422
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4335449.cif
101378	2014-02-13	cif/ Adding structures of 4335449 via cif-deposit CGI script.	4335449.cif