Crystallography Open Database

Information card for entry 1520608

1520607 << 1520608 >> 1520609

Preview

Coordinates	1520608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 Cl3 Cr N6 O12
Calculated formula	C26 Cl3 Cr N6 O12
SMILES	[Cr]12345[n]6c(cccc6)C[N]4(CC[N]5(Cc4[n]3cccc4)Cc3[n]2cccc3)Cc2[n]1cccc2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Chromium(III) Complexes of the Hexadentate Ligand N,N,N',N'- Tetrakis(2-pyridylmethyl)ethane-1,2-diamine. Synthesis, Structure and Reactivity
Authors of publication	Eriksen, J.; Goodson, P.; Hazell, A.; Hodgson, D. J.; Michelsen, K.; Monsted, O.; Rasmussen, J. C.; Toftlund, H.
Journal of publication	Acta Chemica Scandinavica
Year of publication	1999
Journal volume	53
Pages of publication	1083 - 1092
a	9.78 ± 0.002 Å
b	18.702 ± 0.004 Å
c	18.323 ± 0.004 Å
α	90°
β	93.78 ± 0.03°
γ	90°
Cell volume	3344.1 ± 1.2 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.1
Goodness-of-fit parameter for all reflections included in the refinement	1.24
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520608.cif
139403	2015-06-19	cif/ Adding structures of 1520608 via cif-deposit CGI script.	1520608.cif