Information card for entry 4065079

Structure parameters

• Formula: C38.5 H51 I2 La N2 O P2 Si2
• Calculated formula: C38.5 H51 I2 La N2 O P2 Si2
• SMILES: [La]12(C(P(c3ccccc3)(c3ccccc3)=[N]1[Si](C)(C)C)P(c1ccccc1)(c1ccccc1)=[N]2[Si](C)(C)C)(I)(I)[O]1CCCC1.Cc1ccccc1
• 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: 9.8191 ± 0.0004 Å
• b: 11.9347 ± 0.0004 Å
• c: 19.251 ± 0.0009 Å
• α: 77.233 ± 0.004°
• β: 77.04 ± 0.004°
• γ: 83.684 ± 0.003°
• Cell volume: 2139.82 ± 0.16 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No