Crystallography Open Database

Information card for entry 7703860

Preview

Coordinates	7703860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H71 Cl3 Co2 Li N2 O4
Calculated formula	C48 H71 Cl3 Co2 Li N2 O4
SMILES	[Co]1234567c8c(C=[N]2c2c(C(C)C)cccc2C(C)C)cccc8C=[N]([Co](Cl)(Cl)Cl)[c]23[c]4(C(C)C)[cH]6[cH]1[cH]7[c]52C(C)C.[O]1(CCCC1)[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
Title of publication	Bis(imino)aryl NCN pincer cobalt complexes: synthesis and disproportionation.
Authors of publication	Huang, Li-Cheng; Zhang, Jing-Shun; Jia, Teng; Mu, Ying; Gao, Wei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	16
Pages of publication	5219 - 5227
a	11.2848 ± 0.0007 Å
b	13.9972 ± 0.0009 Å
c	18.1516 ± 0.0012 Å
α	101.351 ± 0.001°
β	105.326 ± 0.001°
γ	109.046 ± 0.001°
Cell volume	2484.6 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.107
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
251623 (current)	2020-05-05	cif/ Updating files of 7703856, 7703857, 7703858, 7703859, 7703860, 7703861 Original log message: Adding full bibliography for 7703856--7703861.cif.	7703860.cif
249722	2020-03-26	cif/ Adding structures of 7703856, 7703857, 7703858, 7703859, 7703860, 7703861 via cif-deposit CGI script.	7703860.cif