Information card for entry 7124838

Structure parameters

• Common name: PDIMoO
• Formula: C39 H41 Mo N3 O P2
• Calculated formula: C39 H41 Mo N3 O P2
• 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: 11.1519 ± 0.0011 Å
• b: 16.9788 ± 0.0014 Å
• c: 18.245 ± 0.0013 Å
• α: 90°
• β: 105.844 ± 0.005°
• γ: 90°
• Cell volume: 3323.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1024
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No