Information card for entry 7008841

Structure parameters

• Formula: C43 H33 Br Cl N O5 P2 Pd
• Calculated formula: C43 H33 Br Cl N O5 P2 Pd
• SMILES: [Pd]12([N](c3c([P]1(c1ccccc1)c1ccccc1)cccc3)=Cc1cc(Br)ccc1O2)[P](c1ccccc1)(c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Palladium(II) and platinum(II) complexes with tridentate iminophosphine ligands; synthesis and structural studies.
• Authors of publication: Ní Dhubhghaill, Orla M; Lennon, Joanne; Drew, Michael G. B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 19
• Pages of publication: 3213 - 3220
• a: 16.035 ± 0.017 Å
• b: 15.835 ± 0.017 Å
• c: 16.354 ± 0.017 Å
• α: 90°
• β: 107.699 ± 0.01°
• γ: 90°
• Cell volume: 3956 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1344
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.197
• Weighted residual factors for all reflections included in the refinement: 0.2448
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No