Information card for entry 4065735

Structure parameters

• Formula: C47 H70 I6 La2 Li2 N2 O4 P2 Si2
• Calculated formula: C47 H70 I6 La2 Li2 N2 O4 P2 Si2
• SMILES: [La]1234(C5([La]6([N](=P5(c5ccccc5)c5ccccc5)[Si](C)(C)C)([I]2)([I]3)[I][Li]([I]6)([O]2CCCC2)[O]2CCCC2)P(c2ccccc2)(c2ccccc2)=[N]1[Si](C)(C)C)[I][Li]([I]4)([O]1CCCC1)[O]1CCCC1
• 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: 12.0621 ± 0.0014 Å
• b: 41.979 ± 0.005 Å
• c: 12.7432 ± 0.0014 Å
• α: 90°
• β: 94.174 ± 0.002°
• γ: 90°
• Cell volume: 6435.5 ± 1.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1409
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No