Information card for entry 7064284

Structure parameters

• Common name: Aqua-bis(imidazole-N)-bis(methylbenzoato-O)-mangase(II)
• Formula: C22 H24 Mn N4 O5
• Calculated formula: C22 H24 Mn N4 O5
• Title of publication: Photocatalyst-free visible-light-induced cross-dehydrogenative sulfenylation of aminocoumarins and amino-1,4-naphthoquinones
• Authors of publication: Sikdar, Papiya; Choudhuri, Tathagata; Das, Sourav; Paul, Suvam; Bagdi, Avik Kumar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 4074 - 4079
• a: 14.1696 ± 0.0013 Å
• b: 5.9807 ± 0.0008 Å
• c: 26.5375 ± 0.0015 Å
• α: 90°
• β: 93.217 ± 0.003°
• γ: 90°
• Cell volume: 2245.4 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.04
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No