Information card for entry 7133015

Structure parameters

• Formula: C67 H100 Mg N4 Ni O4
• Calculated formula: C67 H100 Mg N4 Ni O4
• 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: 11.7869 ± 0.0011 Å
• b: 13.1585 ± 0.0012 Å
• c: 21.6061 ± 0.0018 Å
• α: 95.572 ± 0.003°
• β: 101.159 ± 0.003°
• γ: 101.843 ± 0.003°
• Cell volume: 3184.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No