Information card for entry 7704967

Structure parameters

• Formula: C53.5 H79.5 Ca N4 Si2
• Calculated formula: C52 H76 Ca N4 Si2
• 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: 15.3319 ± 0.0012 Å
• b: 23.6745 ± 0.0016 Å
• c: 16.1784 ± 0.001 Å
• α: 90°
• β: 98.631 ± 0.003°
• γ: 90°
• Cell volume: 5805.9 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No