Information card for entry 7110773

Structure parameters

• Common name: Ir(κ^5^(N,N,N,C^Ph2^,C^Ph2^)-Tp^Ph^)(κ^1^(N^1^)-3-phenylpyrazole)
• Chemical name: (κ^5^(N,N',N'',C^Ph2^,C'^Ph2^)-hydrogen-tris(3-phenylpyrazol-1-yl)borato)- (κ^1^(N^1^)-3-phenylpyrazole)-iridium
• Formula: C36 H28 B Ir N8
• Calculated formula: C36 H28 B Ir N8
• SMILES: [Ir]1234([n]5n(ccc5c5ccccc15)[BH](n1[n]2c(cc1)c1ccccc31)n1[n]4c(cc1)c1ccccc1)[n]1[nH]c(cc1)c1ccccc1
• Title of publication: Unprecedented pentadenticity of the HB(3-Phpz)3 (= TpPh) ligand
• Authors of publication: Slugovc, Christian; Carmona, Ernesto; Mereiter, Kurt; Trofimenko, Swiatoslaw
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 2
• Pages of publication: 121
• a: 9.543 ± 0.002 Å
• b: 12.043 ± 0.004 Å
• c: 13.941 ± 0.004 Å
• α: 85.35 ± 0.02°
• β: 77.78 ± 0.02°
• γ: 78.63 ± 0.02°
• Cell volume: 1533.9 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0208
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections included in the refinement: 0.0423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No