Information card for entry 1547996

Structure parameters

• Formula: C62 H77 N4 P4 Si4 Tb
• Calculated formula: C62 H77 N4 P4 Si4 Tb
• SMILES: C12=P(c3ccccc3)(c3ccccc3)N([Si](C)(C)C)[Tb]32([N]([Si](C)(C)C)=P(c2ccccc2)(c2ccccc2)C=P(c2ccccc2)(c2ccccc2)N3[Si](C)(C)C)[N]([Si](C)(C)C)=P1(c1ccccc1)c1ccccc1
• Title of publication: The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes
• Authors of publication: Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle
• Journal of publication: Nature Communications
• Year of publication: 2017
• Journal volume: 8
• Pages of publication: 14137
• a: 31.7332 ± 0.0011 Å
• b: 25.7464 ± 0.0004 Å
• c: 20.982 ± 0.0008 Å
• α: 90°
• β: 132.711 ± 0.006°
• γ: 90°
• Cell volume: 12596.1 ± 1.4 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 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: 0.0271
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No