Information card for entry 2021986

Structure parameters

• Chemical name: Hexa-μ~2~-acetato-bis(μ~2~-2-{[2-(6-bromopyridin-2-yl)hydrazinylidene]\ methyl}-6-methoxyphenolato)tetramanganese(II)
• Formula: C38 H40 Br2 Mn4 N6 O16
• Calculated formula: C38 H40 Br2 Mn4 N6 O16
• SMILES: c1c2[n]([Mn]345[N](=Cc6cccc7[O](C)[Mn]8([O]3c67)([O]=C(O4)C)(OC(=[O][Mn]346([O]7c9c(C=[N]%10Nc%11cccc([n]%11[Mn]7%10([O]=C(O4)C)OC(=[O]6)C)Br)cccc9[O]3C)OC(=[O]8)C)C)OC(=[O]5)C)N2)c(cc1)Br
• Title of publication: Synthesis, crystal structures and magnetic and electrochemiluminescence properties of three manganese(II) complexes
• Authors of publication: Chen, Yating; Zhang, Shaonan; Xiao, Yu; Zhang, Shuhua
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 3
• a: 14.6015 ± 0.0004 Å
• b: 19.1875 ± 0.0007 Å
• c: 8.2747 ± 0.0003 Å
• α: 90°
• β: 98.376 ± 0.003°
• γ: 90°
• Cell volume: 2293.56 ± 0.13 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0575
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No