Information card for entry 7702481

Structure parameters

• Formula: C68 H62 Cl20 D6 N2 Ni O2 P2
• Calculated formula: C68 H62 Cl20 D6 N2 Ni O2 P2
• Title of publication: Synthesis and characterization of bulky salen-type complexes of Co, Cu, Fe, Mn and Ni with amphiphilic solubility properties
• Authors of publication: Haikarainen, Anssi; Sipilä, Jussi; Pietikäinen, Pekka; Pajunen, Aarne; Mutikainen, Ilpo
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 7
• Pages of publication: 991
• a: 13.41 ± 0.008 Å
• b: 13.047 ± 0.008 Å
• c: 45.995 ± 0.014 Å
• α: 90°
• β: 93.39 ± 0.04°
• γ: 90°
• Cell volume: 8033 ± 7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.4126
• Residual factor for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections: 0.3423
• Weighted residual factors for significantly intense reflections: 0.2567
• Weighted residual factors for all reflections included in the refinement: 0.3423
• Goodness-of-fit parameter for all reflections: 0.876
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No