Information card for entry 7714848

Structure parameters

• Formula: C131.29 H171.18 Br8.7 Ca4 Mn8 N8 O50.3
• Calculated formula: C131.284 H171.136 Br8.716 Ca4 Mn8 N8 O50.284
• 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: 14.2052 ± 0.0013 Å
• b: 17.5541 ± 0.0015 Å
• c: 16.6179 ± 0.0016 Å
• α: 90°
• β: 103.82 ± 0.003°
• γ: 90°
• Cell volume: 4023.9 ± 0.6 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: 0.1166
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.2339
• Weighted residual factors for all reflections included in the refinement: 0.261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No