Information card for entry 7126473

Structure parameters

• Formula: C26 H44 Br2 N2 Ni O3.5 P2
• Calculated formula: C26 H44 Br2 N2 Ni O3.5 P2
• Title of publication: Unexpected reactivity of a PONNOP 'expanded pincer' ligand.
• Authors of publication: Scheerder, Arthur R.; Lutz, Martin; Broere, Daniël L J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 59
• Pages of publication: 8198 - 8201
• a: 8.2836 ± 0.0006 Å
• b: 11.8373 ± 0.0009 Å
• c: 16.2323 ± 0.001 Å
• α: 93.988 ± 0.003°
• β: 96.686 ± 0.004°
• γ: 93.178 ± 0.003°
• Cell volume: 1573.77 ± 0.19 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No