Information card for entry 7031249

Structure parameters

• Formula: C42 H32 Cl2 Ir N2 O2 P
• Calculated formula: C42 H32 Cl2 Ir N2 O2 P
• Title of publication: A platinum(ii) complex bearing deprotonated 2-(diphenylphosphino)benzoic acid for superior phosphorescence of monomers.
• Authors of publication: Zhang, Bin; Zhang, Lina; Liu, Chunmei; Zhu, Yanyan; Tang, Mingsheng; Du, Chenxia; Song, Maoping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 21
• Pages of publication: 7704 - 7707
• a: 13.5063 ± 0.0004 Å
• b: 18.243 ± 0.0005 Å
• c: 30.9506 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7626.1 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 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: 0.0699
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No