Information card for entry 1556452

Structure parameters

• Formula: C39 H55 I2 N2 O2 P2 Si2 Tb
• Calculated formula: C39 H55 I2 N2 O2 P2 Si2 Tb
• SMILES: C12P(c3ccccc3)(c3ccccc3)=[N]([Tb]1(I)(I)([N](=P2(c1ccccc1)c1ccccc1)[Si](C)(C)C)[O]1CCCC1)[Si](C)(C)C.O1CCCC1
• 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: 16.142 ± 0.002 Å
• b: 19.415 ± 0.003 Å
• c: 14.134 ± 0.002 Å
• α: 90°
• β: 99.341 ± 0.002°
• γ: 90°
• Cell volume: 4370.8 ± 1.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• 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: 0.0468
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No