Information card for entry 7107154

Structure parameters

• Formula: C25 H41 Cl Mo N2 P2
• Calculated formula: C25 H41 Cl Mo N2 P2
• SMILES: [Mo]([P](C)(C)C)([P](C)(C)C)(Cl)(=Nc1c(cccc1C(C)C)C(C)C)N=Cc1ccccc1
• Title of publication: Catalytic hydroboration by an imido-hydrido complex of Mo(IV)
• Authors of publication: Andrey Khalimon; Philip Farha; Lyudmila Kuzmina; Georgii Nikonov
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 455
• a: 22.805 ± 0.004 Å
• b: 16.318 ± 0.003 Å
• c: 16.59 ± 0.003 Å
• α: 90°
• β: 110.478 ± 0.003°
• γ: 90°
• Cell volume: 5783.5 ± 1.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.148
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No