Information card for entry 7041235

Structure parameters

• Chemical name: 2-(diphenylphosphanyl)-1-{[2-(diphenylphosphanyl)-1H-imidazole]methyl}-1H-imidazole
• Formula: C31 H26 N4 P2
• Calculated formula: C31 H26 N4 P2
• SMILES: P(c1ccccc1)(c1ccccc1)c1nccn1Cn1ccnc1P(c1ccccc1)c1ccccc1
• Title of publication: Coordination of bis(azol-1-yl)methane-based bisphosphines towards Ru(II), Rh(I), Pd(II) and Pt(II): synthesis, structural and catalytic studies.
• Authors of publication: Bhat, Sajad A.; Pandey, Madhusudan K.; Mague, Joel T.; Balakrishna, Maravanji S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 46
• Journal issue: 1
• Pages of publication: 227 - 241
• a: 8.9713 ± 0.0007 Å
• b: 10.3845 ± 0.0008 Å
• c: 27.663 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2577.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No