Information card for entry 7024146

Structure parameters

• Formula: C62 H77 Ce N4 P4 Si4
• Calculated formula: C62 H77 Ce N4 P4 Si4
• SMILES: [Ce]123([N]([Si](C)(C)C)=P(c4ccccc4)(c4ccccc4)C=P(c4ccccc4)(c4ccccc4)N1[Si](C)(C)C)C(=P(c1ccccc1)(c1ccccc1)N3[Si](C)(C)C)P(c1ccccc1)(c1ccccc1)=[N]2[Si](C)(C)C
• Title of publication: Lanthanide tri-benzyl complexes: structural variations and useful precursors to phosphorus-stabilised lanthanide carbenes.
• Authors of publication: Wooles, Ashley J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 500 - 510
• a: 31.368 ± 0.0017 Å
• b: 25.7369 ± 0.0017 Å
• c: 21.0352 ± 0.0017 Å
• α: 90°
• β: 131.128 ± 0.002°
• γ: 90°
• Cell volume: 12791.6 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No