Information card for entry 7040329

Structure parameters

• Chemical name: JMV416
• Formula: C31 H29 N2 O5 P S W
• Calculated formula: C31 H29 N2 O5 P S W
• SMILES: [W]([P]1(SC(=N\C(C)C)/N1C(C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Coordination chemistry of a low-coordinate non-metal element: the case of electrophilic terminal phosphinidene complexes.
• Authors of publication: Villalba Franco, José Manuel; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 35
• Pages of publication: 13951 - 13956
• a: 9.639 ± 0.0006 Å
• b: 9.9715 ± 0.0005 Å
• c: 16.9758 ± 0.0011 Å
• α: 78.438 ± 0.005°
• β: 89.32 ± 0.005°
• γ: 73.325 ± 0.004°
• Cell volume: 1529.49 ± 0.16 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No