Crystallography Open Database

Information card for entry 4318412

Preview

Coordinates	4318412.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H32 Cl3 Co N6 O6
Calculated formula	C22 H32 Cl3 Co N6 O6
SMILES	[Co]123(C)([n]4ccccc4C[NH]1C(C)C(C)=[N]2O)N(=C(C(C)=[N]3Cc1ccccn1)C)=O.[O-]Cl(=O)(=O)=O.C(Cl)Cl
Title of publication	New Alkyl-Cobalt(III) Complexes Containing Chiral Centers in the Chelating System
Authors of publication	Renata Dreos; Alessandro Felluga; Giorgio Nardin; Lucio Randaccio; Mauro Sandri; Giovanni Tauzher
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	4548 - 4554
a	10.896 ± 0.003 Å
b	11.37 ± 0.004 Å
c	12.229 ± 0.004 Å
α	108.44 ± 0.08°
β	97.14 ± 0.07°
γ	99.06 ± 0.07°
Cell volume	1394.6 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0695
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1666
Weighted residual factors for all reflections included in the refinement	0.1815
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
179264 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/84.	4318412.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318412.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318412.cif
15125	2011-03-14	../uploads/cif-deposit/cod/cif Adding structures of 4318412 via cif-deposit CGI script.	4318412.cif