Crystallography Open Database

Information card for entry 1558487

Preview

Coordinates	1558487.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{[MoO4Crcyclam]2}(ClO4)2
Formula	C20 H48 Cl2 Cr2 Mo2 N8 O16
Calculated formula	C20 Cl2 Cr2 Mo2 N8 O16
SMILES	C1C[NH]2CCC[NH]3CC[NH]4[Cr]523([NH]1CCC4)O[Mo](O[Cr]123([NH]4CC[NH]1CCC[NH]2CC[NH]3CCC4)O[Mo](O5)(=O)=O)(=O)=O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Synthesis and Magnetic Susceptibility of New Bimetallic, Tetranuclear and Octanuclear Complex Ions Containing Molybdenum(VI)/Tungsten(VI) and Chromium(III)/Rhodium(III). Crystal Structures of {[MoO4Crcyclam]2}(ClO4)2, {[MoO4Rhcyclam]2}(ClO4)2 and {[WO4Crcyclam]4}(ClO4)4.3H2O
Authors of publication	Glerup, Jorgen; Hazell, Alan; Michelsen, Kirsten; Weihe, Hogni
Journal of publication	Acta Chemica Scandinavica
Year of publication	1994
Journal volume	48
Pages of publication	618 - 627
a	10.051 ± 0.001 Å
b	15.162 ± 0.002 Å
c	12.244 ± 0.001 Å
α	90°
β	104.001 ± 0.008°
γ	90°
Cell volume	1810.5 ± 0.3 Å³
Ambient diffraction temperature	295 K
Number of distinct elements	7
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	0.064
Weighted residual factors for significantly intense reflections	0.08
Goodness-of-fit parameter for all reflections included in the refinement	2.04
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
253691 (current)	2020-07-03	cif/ Adding structures of 1558487 via cif-deposit CGI script.	1558487.cif