Crystallography Open Database

Information card for entry 1558409

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Coordinates	1558409.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Co(tacn-mu-N)(daes-mu2-N1,N2)Co(tacn)](ClO4.H2O)
Formula	C16 H41 Cl3 Co2 N8 O13 S
Calculated formula	C16 Cl3 Co2 N8 O13 S
SMILES	[Co]12345[S]6CC[NH]1[Co]17([NH]4CC6)([N]45CC[NH]2CC[NH]3CC4)[NH]2CC[NH]1CC[NH]7CC2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
Title of publication	Syntheses in Aqueous Solution and Crystal Structure of a Triamido-Bridged Dicobalt(III) Complex with the Ligands 1,4,7-Triazacyclononane and 3-Thiapentane-1,5-diamine
Authors of publication	Kofod, Pauli; Larsen, Erik; Larsen, Sine; Wang, Dong-Ni; Springborg, Johan; Paulsen, Gudrun B.
Journal of publication	Acta Chemica Scandinavica
Year of publication	1994
Journal volume	48
Pages of publication	283 - 289
a	15.289 ± 0.003 Å
b	21.392 ± 0.004 Å
c	17.834 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5832.8 ± 1.9 Å³
Ambient diffraction temperature	122 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.038
Goodness-of-fit parameter for all reflections included in the refinement	0.9
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
253397 (current)	2020-06-24	cif/ Adding structures of 1558409 via cif-deposit CGI script.	1558409.cif