Information card for entry 4065076

Structure parameters

• Formula: C53 H67 K N2 O2 P2
• Calculated formula: C53 H67 K N2 O2 P2
• SMILES: [K]1([O]2CCCC2)([O]2CCCC2)[N](=P(C=P(N1C12CC3CC(C1)CC(C2)C3)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C12CC3CC(C2)CC(C1)C3
• 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: 10.2558 ± 0.0011 Å
• b: 20.195 ± 0.002 Å
• c: 10.8602 ± 0.0011 Å
• α: 90°
• β: 94.588 ± 0.002°
• γ: 90°
• Cell volume: 2242.1 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No