Crystallography Open Database

Information card for entry 8102589

Preview

Coordinates	8102589.cif

Structure parameters

Chemical name	tri(2-Selenopyridine-N-oxide)- cobalt(III), [Co(C~5~H~4~NOSe)~3~]
Formula	C15 H12 Co N3 O3 Se3
Calculated formula	C15 H12 Co N3 O3 Se3
SMILES	[Se]1[Co]23([Se]c4n(=[O]2)cccc4)([Se]c2n(=[O]3)cccc2)[O]=n2c1cccc2
Title of publication	Crystal structure of tri(2-selenopyridine-N-oxide)cobalt(III), Co(C5H4NOSe)3
Authors of publication	De-Zhong Niu; De-Liang Ma; Feng Gao; Zai-Sheng Lu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	1
Pages of publication	63
a	8.7898 ± 0.0014 Å
b	13.4173 ± 0.0017 Å
c	14.998 ± 0.002 Å
α	90°
β	94.142 ± 0.001°
γ	90°
Cell volume	1764.2 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0483
Weighted residual factors for all reflections included in the refinement	0.0534
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102589.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102589.cif
13328	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102589 via cif-deposit CGI script.	8102589.cif