Crystallography Open Database

Information card for entry 4329883

Preview

Coordinates	4329883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H30 B3 Co3 Mo2 O9 Te
Calculated formula	C29 H30 B3 Co3 Mo2 O9 Te
SMILES	[B]1234[B]56789[B]%10%111[Co]1%125(C#[O])(C#[O])[Co]5%136(C#[O])(C#[O])[Co]627(C#[O])(C#[O])(C(=O)[Mo]27%14%1538%10156([c]1([c]2([c]7([c]%14([c]%151C)C)C)C)C)[Te]%12%13)[Mo]123549%11([c]4([c]1([c]2([c]3([c]54C)C)C)C)C)(C#[O])C#[O]
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	10.3465 ± 0.0007 Å
b	11.6799 ± 0.0007 Å
c	16.5804 ± 0.001 Å
α	74.313 ± 0.003°
β	76.11 ± 0.003°
γ	63.926 ± 0.003°
Cell volume	1715.61 ± 0.19 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0729
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1047
Weighted residual factors for all reflections included in the refinement	0.1179
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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
179401 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/98.	4329883.cif
79125	2013-04-04	cif/ Adding structures of 4329883 via cif-deposit CGI script.	4329883.cif