Information card for entry 7046089

Structure parameters

• Common name: 17157zz
• Formula: C86 H69 B F6 Mo N O3 P5
• Calculated formula: C86 H69 B F6 Mo N O3 P5
• Title of publication: Inductive modulation of tris(phosphinomethyl)phenylborate donation at group VI metals via borate phenyl substituent modification.
• Authors of publication: Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L; Storlie, Meghan D.; Chan, Emily T.; Vollmer, Matthew V.; Young, Victor G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 17
• Pages of publication: 6166 - 6176
• a: 13.799 ± 0.0013 Å
• b: 14.3427 ± 0.0015 Å
• c: 21.051 ± 0.002 Å
• α: 72.406 ± 0.004°
• β: 81.517 ± 0.004°
• γ: 81.554 ± 0.004°
• Cell volume: 3904.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No