Crystallography Open Database

Information card for entry 2242692

Preview

Structure parameters

Chemical name	<i>trans</i>-Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(3-hydroxypyridine-κ<i>N</i>)(nitro)cobalt(III) monohydrate
Formula	C15 H21 Co N2 O8
Calculated formula	C15 H21 Co N2 O8
Title of publication	Investigation of nitro–nitrito photoisomerization: crystal structures of <i>trans</i>-bis(acetylacetonato-<i>O</i>,<i>O</i>')(pyridine/4-methylpyridine/3-hydroxypridine)nitrocobalt(III)
Authors of publication	Ohba, Shigeru; Tsuchimoto, Masanobu; Miyazaki, Hiroki
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	11
Pages of publication	1637 - 1642
a	12.3811 ± 0.0004 Å
b	14.0483 ± 0.0005 Å
c	10.6443 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1851.4 ± 0.1 Å³
Cell temperature	301 K
Ambient diffraction temperature	301 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0874
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
301807 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure.	2242692.cif 2242692.hkl
211632	2018-10-25	cif/ hkl/ Adding structures of 2242690, 2242691, 2242692 via cif-deposit CGI script.	2242692.cif 2242692.hkl