Information card for entry 4312317

Structure parameters

• Formula: C26 H35 Cl2 N4 O P Pd
• Calculated formula: C26 H35 Cl2 N4 O P Pd
• SMILES: [Pd]1([N](=Cc2c(O1)c(Cl)cc(Cl)c2)c1c(cccc1C(C)C)C(C)C)([P]12CN3CN(C1)CN(C2)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: 10.674 ± 0.003 Å
• b: 12.035 ± 0.003 Å
• c: 21.342 ± 0.006 Å
• α: 90°
• β: 91.063 ± 0.005°
• γ: 90°
• Cell volume: 2741.2 ± 1.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0758
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No