Information card for entry 8106228

Structure parameters

• Formula: C38 H42 Mn N4 O14
• Calculated formula: C38 H42 Mn N4 O14
• Title of publication: Crystal structure of catena-poly[diaqua-(μ2-3,5-bis(pyridin-4-ylmethoxy)benzoate-κ2N:O) manganese(II)] tetrahydrate [(3,5-bis-(pyridin-4-ylmethoxy)-benzoic-κ1 Oκ1 N) manganese(II)] trihydrate, C38H42MnN4O14
• Authors of publication: Zou, Gui-Hua; Zou, Yu-Long; Shen, Guang-Zhi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 4
• Pages of publication: 599 - 600
• a: 19.165 ± 0.012 Å
• b: 10.116 ± 0.006 Å
• c: 20.734 ± 0.013 Å
• α: 90°
• β: 99.021 ± 0.011°
• γ: 90°
• Cell volume: 3970 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0705
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No