Information card for entry 4082671

Structure parameters

• Common name: 13171d
• Formula: C56 H64 B Mo N3 O4 P2
• Calculated formula: C56 H64 B Mo N3 O4 P2
• 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: 10.6498 ± 0.0016 Å
• b: 14.516 ± 0.002 Å
• c: 16.763 ± 0.003 Å
• α: 87.242 ± 0.002°
• β: 81.979 ± 0.002°
• γ: 82.826 ± 0.002°
• Cell volume: 2544.8 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No