Crystallography Open Database

Information card for entry 7703760

Preview

Coordinates	7703760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H30 Cl3 Co N3 O4
Calculated formula	C31 H30 Cl3 Co N3 O4
SMILES	[Co](Cl)(Cl)(Cl)[n]1c(C[n+]2c3c(c(c4c2cccc4OC)c2c(OC)cccc2OC)c(OC)ccc3)cccc1.C(#N)C
Title of publication	Tunable carbocation-based redox active ambiphilic ligands: synthesis, coordination and characterization.
Authors of publication	Mei, Liangyong; Veleta, José M; Bloch, Jan; Goodman, Hannah J.; Pierce-Navarro, Dominic; Villalobos, Alejandro; Gianetti, Thomas L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	45
Pages of publication	16095 - 16105
a	7.9579 ± 0.0003 Å
b	12.8642 ± 0.0004 Å
c	16.4462 ± 0.0005 Å
α	67.782 ± 0.003°
β	76.185 ± 0.003°
γ	78.925 ± 0.003°
Cell volume	1503.8 ± 0.09 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 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	0.0664
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
260794 (current)	2021-01-07	cif/ Updating files of 7703758, 7703759, 7703760, 7703761, 7703762, 7703763, 7703764 Original log message: Adding full bibliography for 7703758--7703764.cif.	7703760.cif
249430	2020-03-17	cif/ Adding structures of 7703758, 7703759, 7703760, 7703761, 7703762, 7703763, 7703764 via cif-deposit CGI script.	7703760.cif