Information card for entry 7011213

Structure parameters

• Formula: C36 H34 Cl2 N4 O8 P2 Pd
• Calculated formula: C36 H34 Cl2 N4 O8 P2 Pd
• SMILES: [Pd]12([P](c3ccccc3)(c3ccccc3)CNc3[n]1cccc3)[P](c1ccccc1)(c1ccccc1)CNc1[n]2cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis and structural study of late transition metal complexes of N-[(diphenylphosphino)methyl]-2-pyridinamine and N-cyclohexyl-N-[(diphenylphosphino)methyl]-2-pyridinamine
• Authors of publication: Hai-Bin Song; Zheng-Zhi Zhang; Thomas C. W. Mak
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 1336 - 1343
• a: 9.6439 ± 0.0018 Å
• b: 21.221 ± 0.004 Å
• c: 18.761 ± 0.003 Å
• α: 90°
• β: 98.442 ± 0.004°
• γ: 90°
• Cell volume: 3797.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0842
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No