Crystallography Open Database

Information card for entry 1559717

Preview

Coordinates	1559717.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	mu-acetato-di-mu-hydroxo-mu-{N,N,N',N'-tetrakis(2-pyridylmethyl)-1,2- ethanediamine}dichromium-(III) perchlorate.
Formula	C28 H33 Cl3 Cr2 N6 O16
Calculated formula	C28 Cl3 Cr2 N6 O16
SMILES	[Cr]12345[OH][Cr]67([OH]1)([O]=C(O2)C)[N](CC[N]3(Cc1[n]4cccc1)Cc1[n]5cccc1)(Cc1[n]6cccc1)Cc1[n]7cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Synthesis, Characterization and Structure of a New mu-Acetato-di-mu-hydroxo Bridged Chromium(III) Complex with a Sexidentate Binucleating Pyridylamine Ligand
Authors of publication	Toftlund, Hans; Simonsen, Ole; Pedersen, Erik
Journal of publication	Acta Chemica Scandinavica
Year of publication	1990
Journal volume	44
Pages of publication	676 - 682
a	15.175 ± 0.003 Å
b	16.503 ± 0.003 Å
c	15.02 ± 0.003 Å
α	90°
β	97.39 ± 0.01°
γ	90°
Cell volume	3730.3 ± 1.3 Å³
Ambient diffraction temperature	295 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	0.068
Weighted residual factors for significantly intense reflections	0.082
Goodness-of-fit parameter for all reflections included in the refinement	2.73
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
259653 (current)	2020-12-08	cif/ Adding structures of 1559717 via cif-deposit CGI script.	1559717.cif