Information card for entry 4506797

Structure parameters

• Formula: C51 H91 Co2 N11 O31
• Calculated formula: C51 H18 Co2 N11 O31
• 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: 17.527 ± 0.002 Å
• b: 17.527 ± 0.002 Å
• c: 46.452 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12358 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1257
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.2619
• Weighted residual factors for all reflections included in the refinement: 0.2981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No