Information card for entry 7122431

Structure parameters

• Formula: C38 H45 B2 N12 O4 P W2
• Calculated formula: C38 H45 B2 N12 O4 P W2
• Title of publication: Alkynylbis(alkylidynyl)phosphines: {L_nM[triple bond, length as m-dash]C}₂PC[triple bond, length as m-dash]CR.
• Authors of publication: Frogley, Benjamin J.; Hill, Anthony F.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 87
• Pages of publication: 12373 - 12376
• a: 15.285 ± 0.0006 Å
• b: 10.7644 ± 0.0005 Å
• c: 27.3927 ± 0.001 Å
• α: 90°
• β: 93.766 ± 0.004°
• γ: 90°
• Cell volume: 4497.3 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No