Information card for entry 4065736

Structure parameters

• Formula: C68.5 H79 I2 La N2 O2 P2
• Calculated formula: C58 H67 I2 La N2 O2 P2
• SMILES: [La]12(I)(I)(C(P(c3ccccc3)(c3ccccc3)=[N]1c1c(cc(cc1C)C)C)P(c1ccccc1)(c1ccccc1)=[N]2c1c(cc(cc1C)C)C)([O]1CCCC1)[O]1CCCC1.Cc1ccccc1
• Title of publication: Synthesis and Characterization of Dysprosium and Lanthanum Bis(iminophosphorano)methanide and -methanediide Complexes
• Authors of publication: Wooles, Ashley J.; Cooper, Oliver J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 10
• Pages of publication: 2315
• a: 12.7996 ± 0.0007 Å
• b: 15.2231 ± 0.0009 Å
• c: 17.2763 ± 0.001 Å
• α: 84.621 ± 0.002°
• β: 77.039 ± 0.002°
• γ: 87.585 ± 0.002°
• Cell volume: 3265.3 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No