Crystallography Open Database

Information card for entry 8107306

Preview

Coordinates	8107306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 Cl3 Co N2 O4
Calculated formula	C26 H22 Cl3 Co N2 O4
SMILES	[Co]1234(Oc5c(cccc5Cl)C=[N]3CC(C[N]4=Cc3c(O1)c(Cl)ccc3)(C)C)Oc1c(C=[O]2)cccc1Cl
Title of publication	Crystal structure of 2-chloro-6-formylphenolato-κ2O,O′-(6,6′-(((2,2-dimethylpropane-1,3-diyl)bis(azaneylylidene))bis(methaneylylidene))bis(2-chlorophenolato)κ4 N,N,O,O′)cobalt(III), C26H22Cl3CoN2O4
Authors of publication	Lan, Qiaoling; Huang, Meifen; Xu, Jiajun; Wu, Qiong
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	6
Pages of publication	1109 - 1111
a	11.1835 ± 0.0005 Å
b	11.6782 ± 0.0005 Å
c	11.9295 ± 0.0005 Å
α	83.9 ± 0.003°
β	66.911 ± 0.004°
γ	64.232 ± 0.004°
Cell volume	1286.83 ± 0.11 Å³
Cell temperature	213 ± 0.1 K
Ambient diffraction temperature	213 ± 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	0.042
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.0899
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
284398 (current)	2023-06-08	cif/ Adding structures of 8107306 via cif-deposit CGI script.	8107306.cif