Information card for entry 4346475

Structure parameters

• Formula: C13 H14 Li2 N2 O6
• Calculated formula: C13 H14 Li2 N2 O6
• Title of publication: Anomalous Anisotropic Thermal Expansion in a One-Dimensional Coordination Polymer Driven by Conformational Flexibility.
• Authors of publication: Das, Raj Kumar; Aggarwal, Himanshu; Barbour, Leonard J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8171 - 8173
• a: 17.625 ± 0.002 Å
• b: 9.6171 ± 0.0012 Å
• c: 10.0462 ± 0.0012 Å
• α: 90°
• β: 107.402 ± 0.002°
• γ: 90°
• Cell volume: 1624.9 ± 0.3 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No