Information card for entry 7041238

Structure parameters

• Formula: C31 H26 Cl2 N4 P2 Pd
• Calculated formula: C31 H26 Cl2 N4 P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P](c2ccccc2)(c2ccccc2)c2n(ccn2)Cn2c([P]1(c1ccccc1)c1ccccc1)ncc2
• 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: 12.041 ± 0.004 Å
• b: 18.039 ± 0.006 Å
• c: 13.169 ± 0.004 Å
• α: 90°
• β: 92.438 ± 0.004°
• γ: 90°
• Cell volume: 2857.8 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No