Information card for entry 4065349

Structure parameters

• Formula: C65 H89 Cs N2 O4 P2
• Calculated formula: C65 H89 Cs N2 O4 P2
• SMILES: c1c(c(c(cc1)C(C)C)N=P(C=P(c1ccccc1)(c1ccccc1)N([Cs]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)C(C)C.CCOCC
• 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: 10.7463 ± 0.0007 Å
• b: 20.3503 ± 0.0013 Å
• c: 28.0299 ± 0.0018 Å
• α: 90°
• β: 94.467 ± 0.001°
• γ: 90°
• Cell volume: 6111.3 ± 0.7 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: 0.0735
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No