Information card for entry 7020604

Structure parameters

• Formula: C70.5 H63.5 N2 Ni2 P4
• Calculated formula: C70.5 H63.5 N2 Ni2 P4
• Title of publication: A readily accessible PNP pincer ligand with a pyrrole backbone and its Ni(I/II) chemistry.
• Authors of publication: Grüger, Nora; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 46
• Pages of publication: 14028 - 14030
• a: 13.4842 ± 0.0002 Å
• b: 14.87293 ± 0.00018 Å
• c: 16.2602 ± 0.0003 Å
• α: 65.4639 ± 0.0013°
• β: 81.9493 ± 0.0013°
• γ: 72.1302 ± 0.0012°
• Cell volume: 2823.09 ± 0.08 ų
• Cell temperature: 114.96 ± 0.16 K
• Ambient diffraction temperature: 114.96 ± 0.16 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No