Crystallography Open Database

Information card for entry 1557326

Preview

Coordinates	1557326.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	A-cisbeta-[Co(acac)(ch-PNNP)](C1O4)2
Formula	C39 H47 Cl2 Co N2 O10 P2
Calculated formula	C39 Cl2 Co N2 O10 P2
SMILES	[Co]1234([P](CC[NH]3[C@H]3[C@H]([NH]4CC[P]1(c1ccccc1)c1ccccc1)CCCC3)(c1ccccc1)c1ccccc1)OC(=CC(=[O]2)C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Synthesis and Stereochemistry of Cobalt(III) Complexes with the New Optically Active Phosphine Ligand, N,N'-Bis[2-(diphenylphosphanyl)ethyl]-(1R,2R)-cyclohexane-1,2-diamine (ch-PNNP). Crystal Structure of Lambda-Cisbeta-[Co(acac)(ch-PNNP)](ClO4)2
Authors of publication	Atoh, Masamichi; Sorensen, Henning Osholm; Andersen, Peter
Journal of publication	Acta Chemica Scandinavica
Year of publication	1997
Journal volume	51
Pages of publication	1169 - 1177
a	12.721 ± 0.004 Å
b	17.073 ± 0.003 Å
c	18.26 ± 0.03 Å
α	90°
β	90°
γ	90°
Cell volume	3966 ± 7 Å³
Ambient diffraction temperature	122 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1349
Goodness-of-fit parameter for all reflections included in the refinement	1.441
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
248230 (current)	2020-02-17	cif/ Adding structures of 1557326 via cif-deposit CGI script.	1557326.cif