Crystallography Open Database

Information card for entry 4072123

Preview

Coordinates	4072123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H20 B9 N S
Calculated formula	C5 H20 B9 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	18.4915 ± 0.0002 Å
b	6.7105 ± 0.0003 Å
c	10.2849 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1276.22 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.0801
Goodness-of-fit parameter for all reflections included in the refinement	1.143
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4072123.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072123.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072123.cif
44248	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072123 via cif-deposit CGI script.	4072123.cif