Information card for entry 8106058

Structure parameters

• Formula: C22 H20 Cl6 Mn N2 O6
• Calculated formula: C22 H20 Cl6 Mn N2 O6
• Title of publication: Hydrothermal synthesis and crystal structure of poly[aqua-(μ2-1,3-bis(4-pyridyl)propane-κ2 N:N′)-(μ2-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylato-κ2 O:O′)manganese(II) hydrate, C22H20Cl6N2O6Mn
• Authors of publication: Gui-Lian, Li; Jia, Shen; Yu-Ying, He
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 1
• Pages of publication: 95 - 97
• a: 12.008 ± 0.0007 Å
• b: 14.9289 ± 0.0008 Å
• c: 15.2997 ± 0.0008 Å
• α: 90°
• β: 103.59 ± 0.002°
• γ: 90°
• Cell volume: 2665.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No