Crystallography Open Database

Information card for entry 7013144

Preview

Coordinates	7013144.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	exo-(Co(n5-HOEtN3S2amp)Cl)Cl(ClO4)
Formula	C12 H29 Cl3 Co N3 O5 S2
Calculated formula	C12 H29 Cl3 Co N3 O5 S2
Title of publication	Embracing ligands. A synthetic strategy towards new nitrogen‒thioether multidentate ligands and characterization of the cobalt(III) complexes
Authors of publication	Clint A. Sharrad; Stefan R. Lüthi; Lawrence R. Gahan
Journal of publication	Dalton Trans.
Year of publication	2003
Journal issue	19
Pages of publication	3693 - 3703
a	7.1319 ± 0.0008 Å
b	10.53 ± 0.0009 Å
c	14.864 ± 0.002 Å
α	74.432 ± 0.008°
β	83.163 ± 0.009°
γ	82.573 ± 0.008°
Cell volume	1062.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0566
Weighted residual factors for all reflections	0.1822
Weighted residual factors for significantly intense reflections	0.1737
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
179835 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/31.	7013144.cif
132627	2015-03-03	cif/ (antanas@koala.ibt.lt) Removing unrecognised tags from CIFs in range 4/ and range 7/.	7013144.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7013144.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7013144.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7013144.cif