Information card for entry 4517190

Structure parameters

• Formula: C14 H22 B F4 Ir N2 O2
• Calculated formula: C14 H22 B F4 Ir N2 O2
• SMILES: [Ir]12345(OC(=O)C[NH2]1)([N]#CC)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[B](F)(F)(F)[F-]
• 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: 9.7519 ± 0.0002 Å
• b: 8.5712 ± 0.0001 Å
• c: 11.3815 ± 0.0002 Å
• α: 90°
• β: 105.931 ± 0.002°
• γ: 90°
• Cell volume: 914.79 ± 0.03 ų
• Cell temperature: 99.8 ± 0.5 K
• Ambient diffraction temperature: 99.8 ± 0.5 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No