Information card for entry 1556458

Structure parameters

• Formula: C70 H83 I2 La N4 P2
• Calculated formula: C70 H83 I2 La N4 P2
• SMILES: [La]123(I)(I)([N](=P(C3P(=[N]1c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C)[N](C)(C)CC[N]2(C)C.Cc1ccccc1.Cc1ccccc1.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: 13.0112 ± 0.0011 Å
• b: 15.231 ± 0.0011 Å
• c: 17.0292 ± 0.0012 Å
• α: 82.761 ± 0.006°
• β: 74.997 ± 0.007°
• γ: 87.043 ± 0.007°
• Cell volume: 3233.1 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No