Crystallography Open Database

Information card for entry 4318410

Preview

Coordinates	4318410.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H32 Cl Co N6 O6
Calculated formula	C21 H32 Cl Co N6 O6
SMILES	[Co]124(C)([n]5ccccc5C[NH]1[C@H](C)C(C)=[N]2O)N(=O)=C(C)[C@@H](C)[NH]4Cc1ccccn1.[O-]Cl(=O)(=O)=O.[Co]124(C)([n]5ccccc5C[NH]1[C@@H](C)C(C)=[N]2O)N(=O)=C(C)[C@H](C)[NH]4Cc1ccccn1.[O-]Cl(=O)(=O)=O
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	17.321 ± 0.004 Å
b	11.195 ± 0.002 Å
c	14.124 ± 0.003 Å
α	90°
β	108.33 ± 0.07°
γ	90°
Cell volume	2599.8 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1234
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	4318410.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318410.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318410.cif
15123	2011-03-14	../uploads/cif-deposit/cod/cif Adding structures of 4318410 via cif-deposit CGI script.	4318410.cif