Information card for entry 4501712

Structure parameters

• Formula: C60 H96 Mo6 N2 O43
• Calculated formula: C60 H94 Mo6 N2 O43
• Title of publication: Supramolecular Architectures from Ammonium-Crown Ether Inclusion Complexes in Polyoxometalate Association: Synthesis, Structure, and Spectroscopy
• Authors of publication: Chatterjee, Tanmay; Sarma, Monima; Das, Samar K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 7
• Pages of publication: 3149
• a: 16.4726 ± 0.0011 Å
• b: 23.9302 ± 0.0016 Å
• c: 12.1349 ± 0.0008 Å
• α: 90°
• β: 123.61 ± 0.001°
• γ: 90°
• Cell volume: 3983.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No