Information card for entry 7031073

Structure parameters

• Formula: C84 H60 F8 Mn2 O10
• Calculated formula: C84 H60 F8 Mn2 O10
• SMILES: C1(c2c(c3ccc(cc3)F)cccc2c2ccc(F)cc2)=[O][Mn]2(O1)([O]=C(O[Mn]1([O]=C(c3c(c4ccc(cc4)F)cccc3c3ccc(F)cc3)O1)([O]=C(O2)c1c(c2ccc(F)cc2)cccc1c1ccc(F)cc1)[O]1CCCC1)c1c(c2ccc(F)cc2)cccc1c1ccc(F)cc1)[O]1CCCC1
• 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: 10.7747 ± 0.0006 Å
• b: 13.219 ± 0.0007 Å
• c: 14.0466 ± 0.0008 Å
• α: 67.773 ± 0.001°
• β: 68.486 ± 0.001°
• γ: 76.358 ± 0.001°
• Cell volume: 1711.98 ± 0.16 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1179
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No