Crystallography Open Database

Information card for entry 8106697

Preview

Coordinates	8106697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 Cl Co N4 O10
Calculated formula	C22 H22 Cl Co N4 O10
SMILES	c1cccc2C3(c4cccc[n]4[Co]45([n]12)([n]1ccccc1C(c1cccc[n]41)(O5)O)O3)O.Cl(=O)(=O)(=O)[O-].O.O
Title of publication	Crystal structure of bis(hydroxydi(pyridin-2-yl)methanolato-κ3 N,N′,O)cobalt(III) perchlorate dihydrate, C22H22ClCoN4O10
Authors of publication	Liu, Feng; Li, Weihua; Lu, Hui; Sun, Jianhua
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	5
Pages of publication	843 - 844
a	8.4566 ± 0.0007 Å
b	11.9163 ± 0.0007 Å
c	12.4333 ± 0.0009 Å
α	99.77 ± 0.001°
β	103.49 ± 0.001°
γ	90.29 ± 0.001°
Cell volume	1199.38 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0341
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0751
Weighted residual factors for all reflections included in the refinement	0.0774
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
280796 (current)	2023-02-06	cif/ Adding structures of 8106697 via cif-deposit CGI script.	8106697.cif