Crystallography Open Database

Information card for entry 7706904

Preview

Coordinates	7706904.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(N,N'-Ethylene-bis(salicylideneiminato))-acetonyl-cobalt(iii) methanol solvate
Formula	C20 H23 Co N2 O4
Calculated formula	C20 H23 Co N2 O4
SMILES	[Co]123(Oc4ccccc4C=[N]2CC[N]3=Cc2ccccc2O1)([OH]C)CC(=O)C
Title of publication	Preparation of organocobalt(iii) complexes via O<sub>2</sub> activation.
Authors of publication	Møller, Mads Sondrup; Kongsted, Jacob; McKenzie, Christine J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	14
Pages of publication	4819 - 4829
a	7.5674 ± 0.0002 Å
b	19.9473 ± 0.0005 Å
c	12.5497 ± 0.0003 Å
α	90°
β	99.379 ± 0.003°
γ	90°
Cell volume	1869.04 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0541
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1189
Weighted residual factors for all reflections included in the refinement	0.122
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
266066 (current)	2021-06-05	cif/ Updating files of 7706901, 7706902, 7706903, 7706904, 7706905, 7706906, 7706907, 7706908, 7706909 Original log message: Adding full bibliography for 7706901--7706909.cif.	7706904.cif
263195	2021-03-20	cif/ Adding structures of 7706901, 7706902, 7706903, 7706904, 7706905, 7706906, 7706907, 7706908, 7706909 via cif-deposit CGI script.	7706904.cif