Information card for entry 8104964

Structure parameters

• Formula: C20 H24 Cl Mn N2 O5
• Calculated formula: C20 H24 Cl Mn N2 O5
• SMILES: [Mn]123(Cl)Oc4c(ccc(OC)c4)C(=[N]2CC[N]3=C(c2ccc(OC)cc2O1)C)C.O
• Title of publication: Chlorido-(2,2′-(ethane-bis(5-methoxyphenolato))-κ4 N,N′,O,O′)manganese(III) monohydrate, C19H18Cl2CuN2O2
• Authors of publication: Zheng, Liping; Wang, Jialu; Jiao, Haolong; Meng, Licha; Qiao, Yongfeng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 1
• Pages of publication: 71 - 73
• a: 9.7567 ± 0.0017 Å
• b: 9.7786 ± 0.0015 Å
• c: 11.6712 ± 0.0018 Å
• α: 69.227 ± 0.002°
• β: 89.459 ± 0.002°
• γ: 73.849 ± 0.001°
• Cell volume: 995.1 ± 0.3 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No