Information card for entry 4310112

Structure parameters

• Formula: C41 H35 B Cl2 F4 Ir N O2 P2
• Calculated formula: C41 H35 B Cl2 F4 Ir N O2 P2
• SMILES: [IrH]12([P](c3ccccc3)(c3ccccc3)c3c(cccc3)C=1O)([P](c1ccccc1)(c1ccccc1)c1c(cccc1)C2=O)[N]#CC.C(Cl)Cl.[B](F)(F)(F)[F-]
• Title of publication: Novel Hydridoirida-β-diketones Containing Small Molecules, CO, or Ethylene: Their Behavior in Coordinating Solvents Such as Dimethylsulfoxide or Acetonitrile
• Authors of publication: Francisco Acha; María A. Garralda; Lourdes Ibarlucea; Elena Pinilla; M. Rosario Torres
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9084 - 9091
• a: 9.8373 ± 0.0007 Å
• b: 13.1332 ± 0.0009 Å
• c: 16.7523 ± 0.0011 Å
• α: 98.297 ± 0.001°
• β: 103.212 ± 0.001°
• γ: 102.556 ± 0.001°
• Cell volume: 2013.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No