Information card for entry 7716200

Structure parameters

• Formula: C39 H50 Br N Ni P2
• Calculated formula: C39 H48 Br N Ni P2
• SMILES: [Ni]12([P](c3c4N2c2c(cc(cc2[P]1(C(C)C)C(C)C)C)C(c4cc(c3)C)(c1ccccc1)c1ccccc1)(C(C)C)C(C)C)Br
• Title of publication: Reactivity of low-valent nickel carbonyl species supported by acridane based PNP ligands towards iodoalkanes.
• Authors of publication: Park, Sanha; Seo, Mi Sook; Kim, Mingi; Lee, Kang Mun; Graham, Peter M.; Lee, Yunho
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 24
• Pages of publication: 10120 - 10125
• a: 9.3589 ± 0.0006 Å
• b: 32.023 ± 0.003 Å
• c: 11.887 ± 0.0009 Å
• α: 90°
• β: 90.344 ± 0.003°
• γ: 90°
• Cell volume: 3562.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0786
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.305
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No