Information card for entry 7714847

Structure parameters

• Formula: C33 H40 Br2 Mn2 N2 O11 Sr
• Calculated formula: C33 H40 Br2 Mn2 N2 O11 Sr
• SMILES: [Sr]1234(Br)([O](C)[Mn]56(Br)[O]1c1c([O]2C)cccc1C=[N]5c1ccccc1O6)([O](C)[Mn]12([O]3c3c([O]4C)cccc3C=[N]2c2ccccc2O1)([OH]C)[OH]C)[OH]C
• Title of publication: Chemistry of a series of heterobimetallic complexes MnIII2(Ca^II/Sr^II)X₂ (X = Cl^-, Br^-).
• Authors of publication: Bhattacharya, Priyabrata; Bag, Riya; Butcher, Ray J.; Behera, Snehanjali; Mondal, Biswajit; Goswami, Sanchita
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 2324 - 2332
• a: 14.2078 ± 0.0009 Å
• b: 18.1152 ± 0.0013 Å
• c: 16.8416 ± 0.0011 Å
• α: 90°
• β: 104.47 ± 0.003°
• γ: 90°
• Cell volume: 4197.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0829
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No