Information card for entry 4315339

Structure parameters

• Formula: C34 H40 Cl2 F3 N4 P Pd
• Calculated formula: C34 H40 Cl2 F3 N4 P Pd
• SMILES: [Pd]1(Cl)([P]2(C[NH2+]Cc3ccc(F)cc3)CN(CN(C2)Cc2ccc(F)cc2)Cc2ccc(F)cc2)c2ccccc2C[N]1(C)C.[Cl-]
• Title of publication: Unusual Metal-Coordinated Zwitterionic P-C-N-C-N-C Phosphido Adducts
• Authors of publication: Allen T. Ekubo; Mark R. J. Elsegood; Andrew J. Lake; Martin B. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3703 - 3705
• a: 16.3089 ± 0.0007 Å
• b: 9.5474 ± 0.0004 Å
• c: 23.224 ± 0.001 Å
• α: 90°
• β: 104.817 ± 0.006°
• γ: 90°
• Cell volume: 3495.9 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0521
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.6943 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No