Information card for entry 7042312

Structure parameters

• Formula: C30 H32 Au B Cl N6 O2 P S W
• Calculated formula: C30 H32 Au B Cl N6 O2 P S W
• SMILES: [W]123([Au](Cl)C=3P(=S)(c3ccccc3)c3ccccc3)([n]3n(c(cc3C)C)[BH](n3[n]1c(cc3C)C)n1[n]2c(cc1C)C)(C#[O])C#[O]
• Title of publication: Coordination chemistry of phosphinocarbynes: phosphorus vs. carbyne site selectivity.
• Authors of publication: Colebatch, Annie L.; Hill, Anthony F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 13
• Pages of publication: 4355 - 4365
• a: 16.6239 ± 0.0003 Å
• b: 12.8664 ± 0.0003 Å
• c: 17.4284 ± 0.0003 Å
• α: 90°
• β: 116.725 ± 0.001°
• γ: 90°
• Cell volume: 3329.55 ± 0.12 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0688
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections: 0.118
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9435
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No