Information card for entry 7008414

Structure parameters

• Formula: C60 H50 N4 Ni O4 P2
• Calculated formula: C60 H40 N4 Ni O4 P2
• Title of publication: Synthesis, structure, spectroscopy and redox chemistry of square-planar nickel(II) complexes with tetradentate o-phenylenedioxamidates and related ligands.
• Authors of publication: Ottenwaelder, Xavier; Aukauloo, Ally; Journaux, Yves; Carrasco, Rosa; Cano, Joan; Cervera, Beatriz; Castro, Isabel; Curreli, Simona; Muñoz, M Carmen; Roselló, Antonio L; Soto, Bernardino; Ruiz-García, Rafael
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 15
• Pages of publication: 2516 - 2526
• a: 10.49 ± 0.0002 Å
• b: 16.964 ± 0.0003 Å
• c: 16.472 ± 0.0003 Å
• α: 90°
• β: 124.343 ± 0.001°
• γ: 90°
• Cell volume: 2420.24 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0925
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.2051
• Weighted residual factors for all reflections included in the refinement: 0.2445
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No