Crystallography Open Database

Information card for entry 8105685

Preview

Coordinates	8105685.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H24 Co N3 O6
Calculated formula	C27 H24 Co N3 O6
SMILES	[Co]123(OC(=C([N]1=O)C)c1ccccc1)(OC(=C([N]2=O)C)c1ccccc1)OC(=C([N]3=O)C)c1ccccc1
Title of publication	Crystal structure of tris(1-phenyl-1,2-propanedione-2-oximato-κ2 N,O)cobalt(III), C27H24N3O6Co
Authors of publication	Cuihong, Zhang; Yuan, Ge; Xiaoping, Huo; Liguo, Yang; Xin, Li; Zongcheng, Miao
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	3
Pages of publication	473 - 474
a	11.309 ± 0.003 Å
b	19.477 ± 0.005 Å
c	11.615 ± 0.003 Å
α	90°
β	109.071 ± 0.009°
γ	90°
Cell volume	2418 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
276761 (current)	2022-07-11	cif/ Adding structures of 8105685 via cif-deposit CGI script.	8105685.cif