Information card for entry 7011215

Structure parameters

• Formula: C36 H34 Cl Cu N4 O4 P2
• Calculated formula: C36 H34 Cl Cu N4 O4 P2
• SMILES: [Cu]12([P](c3ccccc3)(c3ccccc3)CNc3[n]1cccc3)[P](c1ccccc1)(c1ccccc1)CNc1[n]2cccc1.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: 15.2545 ± 0.0013 Å
• b: 11.3123 ± 0.0009 Å
• c: 20.6784 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3568.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No