Crystallography Open Database

Information card for entry 4331678

Preview

Coordinates	4331678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H24 Co N5 O4
Calculated formula	C16 H24 Co N5 O4
SMILES	[Co]12(N(=O)=C(C(=[N]1O)C)C)(N(=O)=C(C(=[N]2O)C)C)([n]1c(cccc1)C=C)C
Title of publication	Metal Coordination by Sterically Hindered Heterocyclic Ligands, Including 2-Vinylpyridine, Assessed by Investigation of Cobaloximes
Authors of publication	Siega, Patrizia; Randaccio, Lucio; Marzilli, Patricia A.; Marzilli, Luigi G.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	8
Pages of publication	3359 - 3368
a	8.879 ± 0.003 Å
b	9.144 ± 0.003 Å
c	12.123 ± 0.004 Å
α	91.552 ± 0.006°
β	91.931 ± 0.007°
γ	116.729 ± 0.005°
Cell volume	877.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.169
Residual factor for significantly intense reflections	0.0834
Weighted residual factors for significantly intense reflections	0.193
Weighted residual factors for all reflections included in the refinement	0.2256
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
179419 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/16.	4331678.cif
97796	2014-01-29	cif/ Adding structures of 4331676, 4331677, 4331678, 4331679 via cif-deposit CGI script.	4331678.cif