Information card for entry 4312311

Structure parameters

• Formula: C28 H39 Cl N4 Ni O2 P
• Calculated formula: C28 H39 Cl N4 Ni O2 P
• 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: 11.366 ± 0.004 Å
• b: 23.445 ± 0.009 Å
• c: 11.875 ± 0.005 Å
• α: 90°
• β: 115.888 ± 0.007°
• γ: 90°
• Cell volume: 2846.9 ± 1.9 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: 0.2343
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.2104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.766
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No