Information card for entry 4517189

Structure parameters

• Formula: C12.5 H20 Cl2 Ir N O2
• Calculated formula: C12.5 H20 Cl2 Ir N O2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ir]12345([NH2]CC(=O)O1)Cl)C)C)C)C.C(Cl)Cl
• 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: 12.8063 ± 0.0003 Å
• b: 14.5872 ± 0.0003 Å
• c: 16.3284 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3050.28 ± 0.11 ų
• Cell temperature: 100.1 K
• Ambient diffraction temperature: 100.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No