Information card for entry 2016503

Structure parameters

• Chemical name: syn-Tri-μ-chlorido-bis{[(R,R)/(S,S)-2,2'-bis(diphenylphosphino)-1,1'- biphenyl]hydridoiridium(III)} tetrafluoridoborate dichloromethane disolvate
• Formula: C74 H62 B Cl7 F4 Ir2 P4
• Calculated formula: C74 H62 B Cl7 F4 Ir2 P4
• SMILES: [IrH]123([Cl][IrH]4([Cl]1)([Cl]2)[P](c1ccccc1c1ccccc1[P]4(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1c1ccccc1[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• Title of publication: <i>syn</i>-Tri-μ-chlorido-bis{[(<i>R</i>,<i>R</i>)/(<i>S</i>,<i>S</i>)-2,2'-bis(diphenylphosphino)-1,1'-biphenyl]hydridoiridium(III)} tetrafluoridoborate dichloromethane disolvate
• Authors of publication: Dahlenburg, Lutz; Heinemann, Frank W.; Kramer, Dagmar; Menzel, Ralf
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m144 - m146
• a: 13.6578 ± 0.0014 Å
• b: 14.764 ± 0.0006 Å
• c: 18.53 ± 0.0011 Å
• α: 68.701 ± 0.003°
• β: 86.357 ± 0.006°
• γ: 86.228 ± 0.005°
• Cell volume: 3470.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0426
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes