Information card for entry 4506796

Structure parameters

• Formula: C42 H50 Co2 N8 O18
• Calculated formula: C42 H50 Co2 N8 O18
• Title of publication: Solvothermal Synthesis of Oxamate-Based Helicate: Temperature Dependence of the Hydrogen Bond Structuring in the Solid
• Authors of publication: Lisnard, Laurent; Chamoreau, Lise-Marie; Li, Yanling; Journaux, Yves
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 4955
• a: 10.3375 ± 0.0006 Å
• b: 15.2574 ± 0.0015 Å
• c: 15.087 ± 0.0015 Å
• α: 90°
• β: 91.745 ± 0.007°
• γ: 90°
• Cell volume: 2378.5 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No