Information card for entry 1558487

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 ų
• 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 Fobs: No