Information card for entry 4065343

Structure parameters

• Formula: C51 H63 N2 O4 P2 Rb
• Calculated formula: C51 H63 N2 O4 P2 Rb
• SMILES: [Rb]123([N](=P(C=P(c4ccccc4)(c4ccccc4)N1c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C)([O](C)CC[O]2C)[O](C)CC[O]3C
• Title of publication: Group 1 Bis(iminophosphorano)methanides, Part 2:N-Aryl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = 2,4,6-trimethylphenyl or 2,6-diisopropylphenyl)
• Authors of publication: Wooles, Ashley J.; Gregson, Matthew; Robinson, Sarah; Cooper, Oliver J.; 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: 5326
• a: 11.1549 ± 0.0004 Å
• b: 12.6068 ± 0.0004 Å
• c: 17.4105 ± 0.0006 Å
• α: 100.16 ± 0.003°
• β: 91.234 ± 0.003°
• γ: 93.885 ± 0.003°
• Cell volume: 2403.07 ± 0.14 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: 0.0366
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No