Information card for entry 4082659

Structure parameters

• Common name: 10105a
• Formula: C50 H50 B Mo N O4 P2
• Calculated formula: C50 H50 B Mo N O4 P2
• SMILES: [Mo]1(C#[O])(C#[O])(C#[O])(C#[O])[P](C[B](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[N+]12(CCCC1)CCCC2
• Title of publication: Group VI Metal Carbonyl Complexes of Bis((diphenylphosphino)methyl)diphenylborate and an Assessment of Their Utility for Template Ligand Syntheses
• Authors of publication: Fischer, Paul J.; Avena, Laura; Bohrmann, Trent D.; Neary, Michelle C.; Putka, Grace K.; Sullivan, Kevin P.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 5
• Pages of publication: 1300
• a: 15.6347 ± 0.0019 Å
• b: 11.5355 ± 0.0014 Å
• c: 24.918 ± 0.003 Å
• α: 90°
• β: 105.483 ± 0.002°
• γ: 90°
• Cell volume: 4331 ± 0.9 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: 0.0507
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No