Information card for entry 7041236

Structure parameters

• Chemical name: 5-(Diphenylphosphanyl)-1-{[5-(diphosphanyl)-1H-pyrazol-1-yl]methyl}-1H-pyrazole chloroform solvate
• Formula: C32 H27 Cl3 N4 P2
• Calculated formula: C32 H27 Cl3 N4 P2
• SMILES: P(c1ccccc1)(c1ccccc1)c1n(ncc1)Cn1nccc1P(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl
• 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: 12.323 ± 0.002 Å
• b: 12.892 ± 0.002 Å
• c: 12.951 ± 0.002 Å
• α: 93.945 ± 0.002°
• β: 117.423 ± 0.002°
• γ: 117.267 ± 0.002°
• Cell volume: 1517.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0372
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No