Information card for entry 7124837

Structure parameters

• Common name: PF6PDIMoO
• Formula: C45 H51.47 F12 Mo N3 O3 P4
• Calculated formula: C45 H51.47 F12 Mo N3 O3 P4
• Title of publication: Hydrogen production from water using a bis(imino)pyridine molybdenum electrocatalyst.
• Authors of publication: Pal, Raja; Laureanti, Joseph A.; Groy, Thomas L.; Jones, Anne K.; Trovitch, Ryan J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 77
• Pages of publication: 11555 - 11558
• a: 15.3031 ± 0.0006 Å
• b: 15.9629 ± 0.0006 Å
• c: 20.6295 ± 0.0008 Å
• α: 90°
• β: 104.622 ± 0.001°
• γ: 90°
• Cell volume: 4876.2 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0519
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No