Information card for entry 4312315

Structure parameters

• Formula: C27 H39 N4 O2 P Pd
• Calculated formula: C27 H39 N4 O2 P Pd
• SMILES: [Pd]1([N](=Cc2cccc(OC)c2O1)c1c(cccc1C(C)C)C(C)C)([P]12CN3CN(C2)CN(C1)C3)C
• Title of publication: Synthesis and Structures of Nickel and Palladium Salicylaldiminato 1,3,5-Triaza-7-phosphaadamantane (PTA) Complexes
• Authors of publication: Donald J. Darensbourg; Cesar G. Ortiz; Jason C. Yarbrough
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6915 - 6922
• a: 12.249 ± 0.006 Å
• b: 18.457 ± 0.008 Å
• c: 23.812 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5383 ± 4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No