Information card for entry 7011171

Structure parameters

• Formula: C4.5 H25 Mo6 N5 O27.5
• Calculated formula: C4.51 H3 Mo6 N5.03 O27.51
• Title of publication: The first polyoxomolybdenum carbonate compound: Synthesis and crystal structure of (NH4)5[(Mo2VO4)3(µ6-CO3)(µ-CO3)3(µ-OH)3]·0.5CH3OH 1
• Authors of publication: Manos, Manolis J.; Keramidas, Anastasios D.; Woollins, J. Derek; Slawin, Alexandra M. Z.; Kabanos, Themistoklis A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 23
• Pages of publication: 3419
• a: 21.9946 ± 0.0004 Å
• b: 21.9946 ± 0.0004 Å
• c: 12.4171 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5202.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections: 0.1831
• Weighted residual factors for significantly intense reflections: 0.1238
• Goodness-of-fit parameter for all reflections: 1.059
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No