Crystallography Open Database

Information card for entry 7703958

Preview

Coordinates	7703958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 Cl2 Co N3 O2
Calculated formula	C18 H18 Cl2 Co N3 O2
SMILES	c1cccc2c1O[Co]13(Cl)(Cl)[N]2(Cc2cccc[n]12)Cc1cccc[n]31.O
Title of publication	Coligand modulated oxidative O-demethylation of a methyl ether appended tetradentate N-ligand in Co(ii) complexes.
Authors of publication	Anjana, S. S.; Varghese, B.; Murthy, Narasimha N.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	10
Pages of publication	3187 - 3197
a	13.7658 ± 0.0005 Å
b	15.0676 ± 0.0006 Å
c	8.9198 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1850.12 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0271
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0599
Weighted residual factors for all reflections included in the refinement	0.0615
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
250132 (current)	2020-04-04	cif/ Adding structures of 7703952, 7703953, 7703954, 7703955, 7703956, 7703957, 7703958 via cif-deposit CGI script.	7703958.cif