Information card for entry 1559747

Structure parameters

• Formula: C199 H530 Ce6 Cl8 N36 Si36
• Calculated formula: C199 H530 Ce6 Cl8 N36 Si36
• 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: 17.4036 ± 0.0007 Å
• b: 20.6957 ± 0.0008 Å
• c: 24.9538 ± 0.001 Å
• α: 103.801 ± 0.002°
• β: 102.939 ± 0.002°
• γ: 109.687 ± 0.002°
• Cell volume: 7749.8 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No