Information card for entry 7034183

Structure parameters

• Formula: C47 H38 Cl2 N4 O4 Pd2
• Calculated formula: C47 H38 Cl2 N4 O4 Pd2
• Title of publication: Synthesis of a cyclometalated 1,3,5-triphenylpyrazole palladium dimer and its activity towards cross coupling reactions.
• Authors of publication: Mamidala, Ramesh; Mukundam, Vanga; Dhanunjayarao, Kunchala; Venkatasubbaiah, Krishnan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5805 - 5809
• a: 18.0741 ± 0.0004 Å
• b: 16.5018 ± 0.0004 Å
• c: 15.329 ± 0.0003 Å
• α: 90°
• β: 114.591 ± 0.001°
• γ: 90°
• Cell volume: 4157.28 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No