Information card for entry 4344019

Structure parameters

• Common name: K6Ph2PPrPDIMoH
• Formula: C85 H89 Mo2 N6 P4
• Calculated formula: C85 H89 Mo2 N6 P4
• Title of publication: Conversion of Carbon Dioxide to Methanol Using a C-H Activated Bis(imino)pyridine Molybdenum Hydroboration Catalyst.
• Authors of publication: Pal, Raja; Groy, Thomas L.; Trovitch, Ryan J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 7506 - 7515
• a: 10.3197 ± 0.0012 Å
• b: 13.0922 ± 0.0015 Å
• c: 14.2479 ± 0.0017 Å
• α: 81.129 ± 0.004°
• β: 82.476 ± 0.003°
• γ: 76.341 ± 0.003°
• Cell volume: 1839.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No