Information card for entry 7718653

Structure parameters

• Formula: C80 H114 Ca2 N4
• Calculated formula: C80 H114 Ca2 N4
• Title of publication: Alkylzinc-mediated transmetallation of a calcium hydride.
• Authors of publication: Pearce, Kyle G.; Mahon, Mary F.; Hill, Michael S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 8903 - 8907
• a: 14.7549 ± 0.0001 Å
• b: 21.8797 ± 0.0002 Å
• c: 23.3417 ± 0.0002 Å
• α: 90°
• β: 96.525 ± 0.001°
• γ: 90°
• Cell volume: 7486.65 ± 0.11 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0521
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No