Information card for entry 8106661

Structure parameters

• Chemical name: poly[aqua-(m~4~-4-(carboxylatomethyl)benzoato-k4O:O':O'':O''')- (m~2~-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazole-k2N:N') dimanganese(II)]
• Formula: C30 H25 Mn2 N5 O9
• Calculated formula: C30 H25 Mn2 N5 O9
• Title of publication: Hydrothermal synthesis and crystal structure of a poly[aqua-(μ4-4-(carboxylatomethyl)benzoato-κ4 O:O′:O′′:O′′′)-(μ2-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazole-κ2 N:N′) dimanganese(II)], [Mn2(C9H6O4)2(C12H11N5)(H2O)]
• Authors of publication: Wei-Dong, Yin; Gui-Lian, Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 5
• Pages of publication: 737 - 739
• a: 15.5012 ± 0.0006 Å
• b: 9.3423 ± 0.0003 Å
• c: 19.7517 ± 0.0006 Å
• α: 90°
• β: 95.966 ± 0.003°
• γ: 90°
• Cell volume: 2844.89 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0454
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No