Crystallography Open Database

Information card for entry 1558488

Preview

Coordinates	1558488.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{[MoO4Rhcyclam]2}(ClO4)2
Formula	C20 H48 Cl2 Mo2 N8 O16 Rh2
Calculated formula	C20 Cl2 Mo2 N8 O16 Rh2
SMILES	C1C[NH]2CCC[NH]3CC[NH]4[Rh]523([NH]1CCC4)O[Mo](O[Rh]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	9.858 ± 0.002 Å
b	15.269 ± 0.002 Å
c	12.373 ± 0.002 Å
α	90°
β	105.203 ± 0.009°
γ	90°
Cell volume	1797.2 ± 0.5 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	0.036
Weighted residual factors for significantly intense reflections	0.058
Goodness-of-fit parameter for all reflections included in the refinement	1.75
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
253692 (current)	2020-07-03	cif/ Adding structures of 1558488 via cif-deposit CGI script.	1558488.cif