Information card for entry 4065077

Structure parameters

• Formula: C56.5 H71 N2 O2 P2 Rb
• Calculated formula: C53 H67 N2 O2 P2 Rb
• SMILES: [Rb]1([N](=P(c2ccccc2)(C=P(c2ccccc2)(c2ccccc2)N1C13CC4CC(C1)CC(C3)C4)c1ccccc1)C12CC3CC(C2)CC(C1)C3)([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: 11.2873 ± 0.0009 Å
• b: 14.3668 ± 0.001 Å
• c: 16.6811 ± 0.0012 Å
• α: 80.26 ± 0.006°
• β: 73.219 ± 0.007°
• γ: 71.248 ± 0.007°
• Cell volume: 2443.7 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No