Information card for entry 4075654

Structure parameters

• Formula: C84 H116 Ca2 N4
• Calculated formula: C84 H116 Ca2 N4
• Title of publication: Dimerization of β-Diketiminato Calcium Complexes through Dihapto-Acetylide Ligation
• Authors of publication: Avent, Anthony G.; Crimmin, Mark R.; Hill, Michael S.; Hitchcock, Peter B.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 1184
• a: 11.9217 ± 0.0002 Å
• b: 13.2905 ± 0.0002 Å
• c: 13.4317 ± 0.0002 Å
• α: 89.254 ± 0.001°
• β: 72.703 ± 0.001°
• γ: 71.976 ± 0.001°
• Cell volume: 1924.91 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No