Information card for entry 2107625

Structure parameters

• Formula: C15 H14 Mn N2 O6
• Calculated formula: C15 H14 Mn N2 O6
• Title of publication: Anisotropic compressibility of the coordination polymer emim[Mn(btc)]
• Authors of publication: Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 3
• Pages of publication: 389 - 394
• a: 14.15 ± 0.002 Å
• b: 11.86 ± 0.002 Å
• c: 16.574 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2781.4 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Cell measurement pressure: 2480000 ± 12 kPa
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1605
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.2134
• Weighted residual factors for all reflections included in the refinement: 0.2518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes