Information card for entry 7031074

Structure parameters

• Formula: C86 H68 Cl4 F8 Mn2 O12
• Calculated formula: C86 H68 Cl4 F8 Mn2 O12
• Title of publication: Water is a key factor to alter the structure and electrochemical properties of carboxylate-bridged dimanganese(ii) complexes.
• Authors of publication: Sivanesan, Dharmalingam; Kannan, Sethuraman; Thangadurai, Thangaian Daniel; Jung, Kwang-Deog; Yoon, Sungho
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 30
• Pages of publication: 11465 - 11469
• a: 12.331 ± 0.003 Å
• b: 14.072 ± 0.003 Å
• c: 14.127 ± 0.003 Å
• α: 97.29 ± 0.03°
• β: 114.67 ± 0.03°
• γ: 111.21 ± 0.03°
• Cell volume: 1961.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0665
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No