Crystallography Open Database

Information card for entry 4072124

Preview

Coordinates	4072124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H24 B9 Fe N S
Calculated formula	C10 H24 B9 Fe 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	9.441 ± 0.002 Å
b	15.717 ± 0.004 Å
c	22.341 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3315.1 ± 1.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1347
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.1629
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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.	4072124.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072124.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072124.cif
44249	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072124 via cif-deposit CGI script.	4072124.cif