Information card for entry 4312316

Structure parameters

• Formula: C30 H39 N4 O P Pd
• Calculated formula: C30 H39 N4 O P Pd
• SMILES: [Pd]1(Oc2c(C=[N]1c1c(cccc1C(C)C)C(C)C)c1c(cc2)cccc1)([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: 9.8304 ± 0.0011 Å
• b: 12.8719 ± 0.0013 Å
• c: 13.271 ± 0.0014 Å
• α: 115.773 ± 0.002°
• β: 102.892 ± 0.002°
• γ: 102.128 ± 0.002°
• Cell volume: 1380.9 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No