Information card for entry 1556461

Structure parameters

• Formula: C98 H113 Ce N4 P4
• Calculated formula: C86 H85 Ce N4 P4
• SMILES: [Ce]1234(C(=P(c5ccccc5)(c5ccccc5)N1c1c(cc(cc1C)C)C)P(c1ccccc1)(c1ccccc1)=[N]2c1c(cc(cc1C)C)C)C(=P(c1ccccc1)(c1ccccc1)N3c1c(cc(cc1C)C)C)P(c1ccccc1)(c1ccccc1)=[N]4c1c(cc(cc1C)C)C
• 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: 13.6367 ± 0.0015 Å
• b: 21.346 ± 0.002 Å
• c: 29.1 ± 0.003 Å
• α: 97.388 ± 0.002°
• β: 92.382 ± 0.002°
• γ: 97.146 ± 0.002°
• Cell volume: 8320.8 ± 1.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.149
• Residual factor for significantly intense reflections: 0.122
• Weighted residual factors for significantly intense reflections: 0.274
• Weighted residual factors for all reflections included in the refinement: 0.285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No