Information card for entry 1558489

Structure parameters

• Common name: {[WO4Crcyclam]4}(Cl)4.3H2O
• Formula: C40 H108 Cl4 Cr4 N16 O22 W4
• Calculated formula: C40 Cl4 Cr4 N16 O22 W4
• SMILES: [O]12[W]345(O[Cr]678([NH]9CC[NH]6CCC[NH]7CC[NH]8CCC9)O[W]672([O]5[W]25(=O)([O]4[W]1([O]62)(O[Cr]124([NH]6CC[NH]1CCC[NH]2CC[NH]4CCC6)O5)(=O)O[Cr]124([NH]5CC[NH]2CCC[NH]1CC[NH]4CCC5)O7)O[Cr]124(O3)[NH]3CC[NH]2CCC[NH]1CC[NH]4CCC3)=O)=O.[Cl-].[Cl-].[Cl-].O.O.O.[Cl-].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: 19.572 ± 0.002 Å
• b: 24.347 ± 0.004 Å
• c: 16.601 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7910.7 ± 1.8 ų
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.55
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No