Information card for entry 4065342

Structure parameters

• Formula: C51 H59 N2 Na O2 P2
• Calculated formula: C51 H59 N2 Na O2 P2
• SMILES: [Na]1([N](c2c(cc(cc2C)C)C)=P(C=P(c2ccccc2)(c2ccccc2)N1c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1)([O]1CCCC1)[O]1CCCC1
• 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: 10.6126 ± 0.0011 Å
• b: 17.3394 ± 0.0018 Å
• c: 24.612 ± 0.003 Å
• α: 90°
• β: 97.076 ± 0.002°
• γ: 90°
• Cell volume: 4494.5 ± 0.9 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• 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: 0.0714
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No