Information card for entry 7133017

Structure parameters

• Formula: C96 H158 Mg N4 Ni2 O8
• Calculated formula: C96 H158 Mg N4 Ni2 O8
• Title of publication: Appropriation of group II metals: Synthesis and characterisation of the first alkaline earth metal supported transition metal carbonite complexes
• Authors of publication: Wolff, Siad; Ponsonby, Annabelle; Dallmann, Andre; Herwig, Christian; Beckmann, Fabian; Cula, Beatrice; Limberg, Christian
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 28.041 ± 0.004 Å
• b: 14.697 ± 0.002 Å
• c: 24.348 ± 0.004 Å
• α: 90°
• β: 104.01 ± 0.005°
• γ: 90°
• Cell volume: 9736 ± 3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No