Crystallography Open Database

Information card for entry 7705241

Preview

Coordinates	7705241.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H29 Cl2 Co N5 O4 S2
Calculated formula	C23 H29 Cl2 Co N5 O4 S2
SMILES	[Co]12(Cl)(Cl)[n]3c(C(=O)N1c1cc[n+](cc1)C)cccc3C(=O)N2c1cc[n+](cc1)C.S(=O)(C)C.S(=O)(C)C
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	20.8421 ± 0.0001 Å
b	13.9804 ± 0.0001 Å
c	19.0077 ± 0.0001 Å
α	90°
β	95.099 ± 0.001°
γ	90°
Cell volume	5516.56 ± 0.06 Å³
Cell temperature	173.01 ± 0.1 K
Ambient diffraction temperature	173.01 ± 0.1 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0373
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0833
Weighted residual factors for all reflections included in the refinement	0.0849
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
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
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.	7705241.cif
255576	2020-08-22	cif/ Adding structures of 7705237, 7705238, 7705239, 7705240, 7705241, 7705242, 7705243, 7705244, 7705245 via cif-deposit CGI script.	7705241.cif