Information card for entry 1559748

Structure parameters

• Formula: C64 H94 B Ce F24 N7 Si6
• Calculated formula: C64 H94 B Ce F24 N7 Si6
• Title of publication: Cerium(iv) complexes with guanidinate ligands: intense colors and anomalous electronic structures.
• Authors of publication: Qiao, Yusen; Yin, Haolin; Moreau, Liane M.; Feng, Rulin; Higgins, Robert F.; Manor, Brian C.; Carroll, Patrick J.; Booth, Corwin H.; Autschbach, Jochen; Schelter, Eric J.
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3558 - 3567
• a: 18.6937 ± 0.0017 Å
• b: 18.0533 ± 0.0016 Å
• c: 26.789 ± 0.002 Å
• α: 90°
• β: 91.191 ± 0.003°
• γ: 90°
• Cell volume: 9038.9 ± 1.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.1879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No