Information card for entry 7107132

Structure parameters

• Common name: Cu3Mo5P2
• Formula: C72 H54 Cu6 Mo10 N12 O61 P4
• Calculated formula: C72 H54 Cu6 Mo10 N12 O61 P4
• Title of publication: Reversible phase transformation in proton conducting Strandberg-type POM based metal organic material
• Authors of publication: Chandan Dey; Tanay Kundu; Rahul Banerjee
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 266
• a: 8.501 ± 0.007 Å
• b: 29.47 ± 0.02 Å
• c: 20.745 ± 0.016 Å
• α: 90°
• β: 100.744 ± 0.014°
• γ: 90°
• Cell volume: 5106 ± 7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.256
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No