Crystallography Open Database

Information card for entry 1508425

Preview

Coordinates	1508425.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36.84 B18 Br1.16 Co O0.72 S32
Calculated formula	C35.98 H36.85 B18.02 Br1.159 Co O0.72 S32
Title of publication	New Fulvalenium Salts of Cobalt Bis(dicarbollide): Crystal Structures and Electrical Conductivities
Authors of publication	Kazheva, Olga N.; Aleksandrov, Grigory G.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Lobanova, Irina A.; Kosenko, Irina D.; Sivaev, Igor B.; Bregadze, Vladimir I.; Buravov, Lev I.; Dyachenko, Oleg A.
Journal of publication	Crystals
Year of publication	2012
Journal volume	2
Journal issue	1
Pages of publication	43 - 55
a	10.809 ± 0.001 Å
b	16.187 ± 0.001 Å
c	20.412 ± 0.001 Å
α	100.22 ± 0.01°
β	100.43 ± 0.01°
γ	107.21 ± 0.01°
Cell volume	3252.1 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0643
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.0955
Goodness-of-fit parameter for all reflections included in the refinement	0.849
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508425.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508425.cif
69145	2012-12-03	cif/ Adding structures of 1508425 via cif-deposit CGI script.	1508425.cif