Crystallography Open Database

Information card for entry 1558287

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Coordinates	1558287.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Sodium Tri-mu-hydroxobis{1,4,7-triazacyclononanecobalt(III)} Dichloride Diperchlorate Dihydrate
Formula	C12 H37 Cl4 Co2 N6 Na O13
Calculated formula	C12 Cl4 Co2 N6 Na O13
SMILES	[Co]1234([OH][Co]56([OH]1)([OH]2)[NH]1CC[NH]5CC[NH]6CC1)[NH]1CC[NH]3CC[NH]4CC1.[Na](OCl(=O)(=O)=O)(OCl(=O)(=O)=O)(Cl)(Cl)([OH2])[OH2]
Title of publication	Base Hydrolysis of (1,4,7-Triazacyclononane)(3-thiapentane-1,5-diamine)cobalt(III) and the Crystal and Molecular Structure of Sodium Tri-mu-hydroxobis{1,4,7-triazacyclononanecobalt(III)} Dichloride Diperchlorate Dihydrate Isolated from the Reaction
Authors of publication	Larsen, Erik; Larsen, Sine; Paulsen, Gudrun B.; Springborg, Johan; Wang, Dong-Ni
Journal of publication	Acta Chemica Scandinavica
Year of publication	1994
Journal volume	48
Pages of publication	107 - 112
a	7.235 ± 0.005 Å
b	17.662 ± 0.002 Å
c	20.87 ± 0.006 Å
α	90°
β	93.41 ± 0.03°
γ	90°
Cell volume	2662 ± 2 Å³
Ambient diffraction temperature	122 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.092
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
253091 (current)	2020-06-11	cif/ Adding structures of 1558287 via cif-deposit CGI script.	1558287.cif