Information card for entry 7007572

Structure parameters

• Formula: C18 H6 O14 P2 W3
• Calculated formula: C18 H6 O14 P2 W3
• SMILES: [W]([P@]12[C@@]3([C@@]4([P@@]1([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[W]234(C#[O])(C#[O])(C#[O])C#[O])C)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: 14.323 ± 0.003 Å
• b: 30.107 ± 0.006 Å
• c: 12.311 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5309 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No