Information card for entry 7039667

Structure parameters

• Formula: C130 H230 B4 Cl4 Ir4 N8 P8
• Calculated formula: C130 H230 B4 Cl4 Ir4 N8 P8
• Title of publication: A long-tethered (P-B-P)-pincer ligand: synthesis, complexation, and application to catalytic dehydrogenation of alkanes.
• Authors of publication: Kwan, Enrique Huang; Kawai, Yasushi Jack; Kamakura, Sei; Yamashita, Makoto
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 40
• Pages of publication: 15931 - 15941
• a: 9.369 ± 0.003 Å
• b: 21.885 ± 0.006 Å
• c: 33.532 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6875 ± 3 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No