Information card for entry 4517193

Structure parameters

• Formula: C96 H152 F48 Ir8 N8 O16 P8
• Calculated formula: C96 H152 F48 Ir8 N8 O16 P8
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ir]162345[NH2]CC(=[O]1)O[Ir]12345([c]7([c]4([c]5([c]2([c]17C)C)C)C)C)[NH2]CC(=[O][Ir]12457([NH2]CC(=[O][Ir]89%10%11%12([NH2]CC(=[O]8)O[Ir]8%13%14%15%16([c]%17([c]%15([c]%14([c]%13([c]8%17C)C)C)C)C)[NH2]CC(=[O]%16)O[Ir]8%13%14%15%16([NH2]CC(=[O][Ir]%17%18%19%20%21([NH2]CC(=[O][Ir]%22%23%24%25%26([NH2]CC(=[O]6)O%22)[c]6([c]%23([c]%24([c]%25([c]%266C)C)C)C)C)O%17)[c]6([c]%21([c]%20([c]%19([c]%186C)C)C)C)C)O8)[c]6([c]%13([c]%14([c]%15([c]%166C)C)C)C)C)[c]6([c]9([c]%10([c]%11([c]%126C)C)C)C)C)O1)[c]1([c]7([c]5([c]4([c]21C)C)C)C)C)O3)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(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: 37.569 ± 0.002 Å
• b: 12.7541 ± 0.0003 Å
• c: 36.915 ± 0.002 Å
• α: 90°
• β: 123.638 ± 0.003°
• γ: 90°
• Cell volume: 14726.3 ± 1.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0816
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No