Information card for entry 7042313

Structure parameters

• Formula: C43 H51 Au3 B2 Cl5 N12 O4 P W2
• Calculated formula: C43 H51 Au3 B2 Cl5 N12 O4 P W2
• SMILES: [W]123([n]4n(c(cc4C)C)[BH](n4[n]1c(C)cc4C)n1[n]2c(C)cc1C)(C#[O])(C#[O])[Au](Cl)C=3[P]([Au]Cl)(c1ccccc1)C1[Au](Cl)[W]=123([n]1n(c(cc1C)C)[BH](n1[n]2c(C)cc1C)n1[n]3c(C)cc1C)(C#[O])C#[O].ClCCl
• 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: 23.7948 ± 0.0004 Å
• b: 10.6312 ± 0.0002 Å
• c: 24.9238 ± 0.0005 Å
• α: 90°
• β: 116.06 ± 0.0009°
• γ: 90°
• Cell volume: 5663.91 ± 0.19 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0865
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections: 0.1602
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9445
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No