Information card for entry 4517192

Structure parameters

• Formula: C54 H98 B3 F12 Ir3 N8 O11
• Calculated formula: C54 H98 B3 F12 Ir3 N8 O11
• Title of publication: Octametallic Cluster of Cp*Ir(glycinato) Cations.
• Authors of publication: Morris, David M.; Merola, Joseph S.
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 26
• Pages of publication: 22126 - 22132
• a: 11.8589 ± 0.0003 Å
• b: 12.0553 ± 0.0003 Å
• c: 24.3256 ± 0.0006 Å
• α: 97.538 ± 0.002°
• β: 93.547 ± 0.002°
• γ: 94.776 ± 0.002°
• Cell volume: 3426.29 ± 0.15 ų
• Cell temperature: 100.05 ± 0.1 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No