Information card for entry 1548002

Structure parameters

• Formula: C69 H84 Ag N4 P4 Pr Si4
• Calculated formula: C69 H84 Ag N4 P4 Pr Si4
• SMILES: [Pr]1234[N](=P([C]3([Ag][N](=P(C4=P(N2[Si](C)(C)C)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[Si](C)(C)C)=P(N1[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C.Cc1ccccc1
• 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: 45.8315 ± 0.0014 Å
• b: 13.00211 ± 0.00019 Å
• c: 24.0634 ± 0.0005 Å
• α: 90°
• β: 104.354 ± 0.003°
• γ: 90°
• Cell volume: 13891.9 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0445
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No