Information card for entry 7007573

Structure parameters

• Formula: C18 H6 O14 P2 W3
• Calculated formula: C18 H6 O14 P2 W3
• SMILES: [W]([P]12C3([P]4([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[W]13(C24C)(C#[O])(C#[O])(C#[O])C#[O])C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: The first complexes and cyclodimerisations of methylphosphaalkyne (P[triple bond]CMe).
• Authors of publication: Jones, Cameron; Schulten, Christian; Stasch, Andreas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 31
• Pages of publication: 3733 - 3735
• a: 16.082 ± 0.003 Å
• b: 12.237 ± 0.002 Å
• c: 28.575 ± 0.006 Å
• α: 90°
• β: 106.02 ± 0.03°
• γ: 90°
• Cell volume: 5405 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No