Information card for entry 8107513

Structure parameters

• Chemical name: 3-thiophenecarboxylato-? O-( 2,2'-dipyridyl -?2 N, N') manganese(II),
• Formula: C21 H22 Mn N2 O7 S2
• Calculated formula: C21 H22 Mn N2 O7 S2
• Title of publication: The crystal structure of diaqua-methanol-κ1 O- (3-thiophenecarboxylato-κO)-(2,2′-dipyridyl-κ2 N,N′)manganese(II) 3-thiophenecarboxylate, C21H22N2O7S2Mn
• Authors of publication: Shi, Zheng; Zhang, Zhongyu; Han, Bing; Li, Yunyun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 4
• Pages of publication: 623 - 625
• a: 14.544 ± 0.006 Å
• b: 9.636 ± 0.004 Å
• c: 17.087 ± 0.007 Å
• α: 90°
• β: 96.664 ± 0.006°
• γ: 90°
• Cell volume: 2378.5 ± 1.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.0434
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No