Information card for entry 7062028

Structure parameters

• Formula: C21 H13 Cl2 Mn N5 O14
• Calculated formula: C21 H13 Cl2 Mn N5 O14
• Title of publication: An exchange interaction of the antiferromagnetic nature in benzoate bridged Mn(ii) chains
• Authors of publication: Mičová, Romana; Rajnák, Cyril; Titiš, Ján; Moncoľ, Ján; Dlháň, Ľubor; Zalibera, Michal; Boča, Roman
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 47
• Pages of publication: 22686 - 22691
• a: 8.2964 ± 0.0003 Å
• b: 14.6106 ± 0.0006 Å
• c: 21.1398 ± 0.0009 Å
• α: 90°
• β: 98.033 ± 0.003°
• γ: 90°
• Cell volume: 2537.33 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0591
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No