Crystallography Open Database

Information card for entry 4072125

Preview

Coordinates	4072125.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H31 B9 Co N S
Calculated formula	C13 H31 B9 Co N S
Title of publication	Iron and Cobalt Complexes with Thiacarborane Ligands
Authors of publication	Perekalin, Dmitry S.; Glukhov, Ivan V.; Holub, Josef; Císařova, Ivana; Štíbr, Bohumil; Kudinov, Alexander R.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	20
Pages of publication	5273
a	9.3712 ± 0.0011 Å
b	16.954 ± 0.002 Å
c	12.8825 ± 0.0016 Å
α	90°
β	97.711 ± 0.002°
γ	90°
Cell volume	2028.3 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0582
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.1001
Goodness-of-fit parameter for all reflections included in the refinement	0.98
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
178610 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/21.	4072125.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072125.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072125.cif
44250	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072125 via cif-deposit CGI script.	4072125.cif