Crystallography Open Database

Information card for entry 7705240

Preview

Coordinates	7705240.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 Cl2 Co N5 O2
Calculated formula	C19 H17 Cl2 Co N5 O2
SMILES	[Co]12(Cl)(Cl)O/C(=N\c3[n+](cccc3)C)c3[n]2c(C(=N\c2[n+](cccc2)C)/O1)ccc3
Title of publication	Ambidentate bonding and electrochemical implications of pincer-type pyridylidene amide ligands in complexes of nickel, cobalt and zinc.
Authors of publication	Melle, Philipp; Ségaud, Nathalie; Albrecht, Martin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	36
Pages of publication	12662 - 12673
a	7.9978 ± 0.0002 Å
b	9.273 ± 0.0002 Å
c	14.4181 ± 0.0004 Å
α	102.016 ± 0.002°
β	99.28 ± 0.002°
γ	104.188 ± 0.002°
Cell volume	988.23 ± 0.05 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0707
Weighted residual factors for all reflections included in the refinement	0.0776
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
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
257541 (current)	2020-10-06	cif/ Updating files of 7705237, 7705238, 7705239, 7705240, 7705241, 7705242, 7705243, 7705244, 7705245 Original log message: Adding full bibliography for 7705237--7705245.cif.	7705240.cif
255576	2020-08-22	cif/ Adding structures of 7705237, 7705238, 7705239, 7705240, 7705241, 7705242, 7705243, 7705244, 7705245 via cif-deposit CGI script.	7705240.cif