Information card for entry 4065071

Structure parameters

• Formula: C39 H55 N2 O2 P2 Rb Si2
• Calculated formula: C39 H55 N2 O2 P2 Rb Si2
• SMILES: [Rb]1([N](=P(C=P(c2ccccc2)(c2ccccc2)N1[Si](C)(C)C)(c1ccccc1)c1ccccc1)[Si](C)(C)C)([O]1CCCC1)[O]1CCCC1
• Title of publication: Group 1 Bis(iminophosphorano)methanides, Part 1:N-Alkyl and Silyl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = Adamantyl and Trimethylsilyl)
• Authors of publication: Wooles, Ashley J.; Gregson, Matthew; Cooper, Oliver J.; Middleton-Gear, Amy; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 20
• Pages of publication: 5314
• a: 10.5328 ± 0.0005 Å
• b: 17.2302 ± 0.0009 Å
• c: 23.0134 ± 0.0012 Å
• α: 90°
• β: 94.098 ± 0.001°
• γ: 90°
• Cell volume: 4165.8 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• 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: 0.0559
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No