Crystallography Open Database

Information card for entry 4333978

Preview

Coordinates	4333978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25.5 H32.5 B2.5 Co2 Mo2 O5.5 Te
Calculated formula	C25.5 H32.5 B2.5 Co2 Mo2 O5.5 Te
Title of publication	Novel Triple-Decker Sandwich Complex with a Six-Membered [B3Co2(μ4-Te)] Ring as the Middle Deck
Authors of publication	Arunabha Thakur; Kiran Kumar Varma Chakrahari; Bijan Mondal; Sundargopal Ghosh
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2262 - 2264
a	17.9134 ± 0.0003 Å
b	14.5553 ± 0.0003 Å
c	11.3323 ± 0.0002 Å
α	90°
β	98.348 ± 0.001°
γ	90°
Cell volume	2923.42 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0437
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0878
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
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.	4333978.cif
99787	2014-02-03	cif/ Adding structures of 4333978 via cif-deposit CGI script.	4333978.cif