Information card for entry 7705258

Structure parameters

• Formula: C34 H45 B F6 N6 O2 P2 Pt W
• Calculated formula: C34 H45 B F6 N6 O2 P2 Pt W
• SMILES: [W]12([n]3n(c(cc3C)C)[BH](n3[n]1c(C)cc3C)n1[n]2c(cc1C)C)(C#[O])(=[C]([Pt]123[CH]4=[CH]1CC[CH]2=[CH]3CC4)=P(C)(c1ccccc1)C)C#[O].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Metal coordination of phosphoniocarbynes.
• Authors of publication: Onn, Chee S.; Hill, Anthony F.; Olding, Angus
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 36
• Pages of publication: 12731 - 12741
• a: 15.0989 ± 0.0004 Å
• b: 23.4132 ± 0.0006 Å
• c: 24.3451 ± 0.0008 Å
• α: 90°
• β: 101.691 ± 0.003°
• γ: 90°
• Cell volume: 8427.8 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 9
• 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: 0.1073
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No