Information card for entry 7714845

Structure parameters

• Chemical name: Howard UniversityUnited States of America
• Formula: C35 H48 Ca Cl2 Mn2 N2 O13
• Calculated formula: C35 H48 Ca Cl2 Mn2 N2 O13
• 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: 14.317 ± 0.001 Å
• b: 18.4788 ± 0.0014 Å
• c: 16.6261 ± 0.0012 Å
• α: 90°
• β: 104.813 ± 0.003°
• γ: 90°
• Cell volume: 4252.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0567
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No