Information card for entry 4065346

Structure parameters

• Formula: C57 H71 K N2 O2 P2
• Calculated formula: C57 H71 K N2 O2 P2
• SMILES: [K]123456([c]7([c]1([cH]2[cH]3[cH]4[c]57C(C)C)C(C)C)N=P(C=P(c1ccccc1)(c1ccccc1)N6c1c(cccc1C(C)C)C(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: 10.4895 ± 0.0014 Å
• b: 12.6503 ± 0.0016 Å
• c: 40.112 ± 0.005 Å
• α: 90°
• β: 93.309 ± 0.002°
• γ: 90°
• Cell volume: 5313.8 ± 1.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1518
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2401
• Weighted residual factors for all reflections included in the refinement: 0.2742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No