Information card for entry 7133265

Structure parameters

• Formula: C136 H204 Ca4 N8 Zn4
• Calculated formula: C136 H204 Ca4 N8 Zn4
• Title of publication: Pathway to a molecular calcium methyl.
• Authors of publication: Pearce, Kyle G.; Neale, Samuel E.; McMullin, Claire L.; Mahon, Mary F.; Hill, Michael S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 61
• Pages of publication: 7882 - 7885
• a: 15.2503 ± 0.0006 Å
• b: 16.0371 ± 0.0006 Å
• c: 16.0776 ± 0.0006 Å
• α: 69.051 ± 0.004°
• β: 69.699 ± 0.004°
• γ: 71.172 ± 0.004°
• Cell volume: 3354.3 ± 0.3 ų
• Cell temperature: 149.9 ± 0.7 K
• Ambient diffraction temperature: 149.9 ± 0.7 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No