Information card for entry 8107654

Structure parameters

• Chemical name: ?3-thiophenecarboxylato-κ2OO??-(1,10-phenanthroline-κ2N,N')manganese(II),
• Formula: C54 H34 Mn3 N4 O12 S6
• Calculated formula: C54 H34 Mn3 N4 O12 S6
• Title of publication: The crystal structure of hexakis(3-thiophenecarboxylato-κ 2 O,O″)-bis(1,10-phenanthroline-κ 2 N,N′) trimanganese(II), C54H34N4O12S6Mn3
• Authors of publication: Zhou, Lili; Zhang, Zhongyu; Men, Xiaoxia; Zhang, Yaxuan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 6
• Pages of publication: 1039 - 1041
• a: 11.014 ± 0.0004 Å
• b: 22.3222 ± 0.0009 Å
• c: 11.2886 ± 0.0005 Å
• α: 90°
• β: 105.436 ± 0.001°
• γ: 90°
• Cell volume: 2675.27 ± 0.19 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No