Information card for entry 7704972

Structure parameters

• Formula: C62 H78 Ca I N3 O
• Calculated formula: C62 H78 Ca I N3 O
• Title of publication: A versatile nitrogen ligand for alkaline-earth chemistry.
• Authors of publication: Chapple, Peter M.; Cordier, Marie; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 34
• Pages of publication: 11878 - 11889
• a: 27.1903 ± 0.0005 Å
• b: 27.1903 Å
• c: 15.5907 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11526.4 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No