Information card for entry 1556457

Structure parameters

• Formula: C164 H169 Er N6 P6
• Calculated formula: C164 H169 Er N6 P6
• SMILES: [Er]1234(C(P(c5ccccc5)(c5ccccc5)=[N]1c1c(cc(cc1C)C)C)P(c1ccccc1)(c1ccccc1)=[N]2c1c(cc(cc1C)C)C)C(P(c1ccccc1)(c1ccccc1)=[N]3c1c(cc(cc1C)C)C)P(c1ccccc1)(c1ccccc1)=[N]4c1c(cc(cc1C)C)C.C(=P(c1ccccc1)(c1ccccc1)[N-]c1c(cc(cc1C)C)C)P(c1ccccc1)(c1ccccc1)=Nc1c(cc(cc1C)C)C.Cc1ccccc1.Cc1ccccc1.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: 16.895 ± 0.003 Å
• b: 19.82 ± 0.004 Å
• c: 21.149 ± 0.004 Å
• α: 76.79 ± 0.03°
• β: 78.76 ± 0.03°
• γ: 83.9 ± 0.03°
• Cell volume: 6748 ± 2 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: 0.0761
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No