Information card for entry 4075010

Structure parameters

• Formula: C32 H41 As2 O4 P Si2 W
• Calculated formula: C32 H41 As2 O4 P Si2 W
• SMILES: [W]12345([P]6(OC(=[As]C6([Si](C)(C)C)[Si](C)(C)C)c6ccc(cc6)CC)OC(=[As]1)c1ccc(cc1)CC)(C#[O])(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Arsaalkenes R−AsC(NMe2)2[R = PhC(O), 4-EtC6H4C(O), 2,4,6-Me3C6H2C(O),tBuC(O), Me3Si]: Versatile Reagents in the Chemistry of Heterocumulenes
• Authors of publication: Weber, Lothar; Bayer, Philipp; Braun, Thomas; Stammler, Hans-Georg; Neumann, Beate
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 7
• Pages of publication: 1786
• a: 10.29 ± 0.0001 Å
• b: 13.589 ± 0.0002 Å
• c: 14.174 ± 0.0002 Å
• α: 96.876 ± 0.0008°
• β: 111.081 ± 0.0008°
• γ: 104.975 ± 0.0009°
• Cell volume: 1736.08 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0229
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No