Information card for entry 4128680

Structure parameters

• Formula: C156.4 H138.8 Cl11.8 Ir3 O3 P12
• Calculated formula: C156.4 H138.8 Cl11.8 Ir3 O3 P12
• Title of publication: Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.
• Authors of publication: Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 18
• Pages of publication: 7596 - 7604
• a: 41.384 ± 0.003 Å
• b: 12.1155 ± 0.0007 Å
• c: 32.3933 ± 0.0019 Å
• α: 90°
• β: 109.788 ± 0.002°
• γ: 90°
• Cell volume: 15282.6 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0738
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No