Information card for entry 1556450

Structure parameters

• Formula: C42 H55 I2 N2 Nd O P2 Si2
• Calculated formula: C42 H55 I2 N2 Nd O P2 Si2
• SMILES: [Nd]1(I)(I)([O]2CCCC2)[N](=P(C=P(N1[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C.Cc1ccccc1
• Title of publication: Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides
• Authors of publication: Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.
• Journal of publication: Inorganics
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 46 - 69
• a: 9.839 ± 0.002 Å
• b: 12.426 ± 0.003 Å
• c: 19.947 ± 0.005 Å
• α: 106.347 ± 0.005°
• β: 96.476 ± 0.004°
• γ: 98.785 ± 0.004°
• Cell volume: 2281.3 ± 0.9 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: 0.0505
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.305
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No