Information card for entry 4065080

Structure parameters

• Formula: C110 H142 I4 La2 N4 O5 P4
• Calculated formula: C110 H142 I4 La2 N4 O5 P4
• SMILES: [La]12(I)(I)([O]3CCCC3)[N](=P(C2P(=[N]1C12CC3CC(C2)CC(C1)C3)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C12CC3CC(C1)CC(C2)C3.C1CCOC1.C1CCOC1
• 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: 13.044 ± 0.0008 Å
• b: 39.599 ± 0.002 Å
• c: 20.1193 ± 0.0012 Å
• α: 90°
• β: 90.184 ± 0.001°
• γ: 90°
• Cell volume: 10392.2 ± 1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• 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: 0.0288
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No