Information card for entry 7705255

Structure parameters

• Chemical name: Compound_8
• Formula: C47 H56 B Cl3 F6 N8 O2 P2 Pt W
• Calculated formula: C47 H56 B Cl3 F6 N8 O2 P2 Pt W
• SMILES: [Pt]1(C([W]231([n]1n(c(cc1C)C)[BH](n1[n]3c(cc1C)C)n1[n]2c(C)cc1C)(C#[O])C#[O])=P(c1ccccc1)(C)C)(C#[N]c1c(C)cc(cc1C)C)C#[N]c1c(cc(cc1C)C)C.[P](F)(F)(F)(F)(F)[F-].ClC(Cl)Cl
• 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: 16.5808 ± 0.0004 Å
• b: 14.449 ± 0.0004 Å
• c: 22.7627 ± 0.0006 Å
• α: 90°
• β: 93.001 ± 0.002°
• γ: 90°
• Cell volume: 5445.9 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 10
• 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: 0.0649
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No