Information card for entry 7041605

Structure parameters

• Chemical name: compound 2
• Formula: C56 H65 N4 Ni2 O2
• Calculated formula: C56 H65 N4 Ni2 O2
• Title of publication: Divergent reactivity of a new dinuclear xanthene-bridged bis(iminopyridine) di-nickel complex with alkynes.
• Authors of publication: Hollingsworth, Ryan L.; Bheemaraju, Amarnath; Lenca, Nicole; Lord, Richard L.; Groysman, Stanislav
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 5605 - 5616
• a: 12.3968 ± 0.0012 Å
• b: 15.3222 ± 0.0016 Å
• c: 25.014 ± 0.003 Å
• α: 90°
• β: 100.198 ± 0.005°
• γ: 90°
• Cell volume: 4676.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0711
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No