Information card for entry 7105047

Structure parameters

• Common name: (Mn4F4(1,10-phen)8(NO3)4.12(H2O)
• Formula: C96 H88 F4 Mn4 N20 O24
• Calculated formula: C96 H64 F4 Mn4 N20 O24
• SMILES: c1ccc2c3c4[n](cccc4cc2)[Mn]24([F][Mn]56([F][Mn]78([F][Mn]9%10([F]4)([n]4cccc%11c4c4[n]9cccc4cc%11)[n]4cccc9c4c4[n]%10cccc4cc9)([n]4cccc9c4c4[n]7cccc4cc9)[n]4cccc7c4c4[n]8cccc4cc7)([n]4cccc7c4c4[n]5cccc4cc7)[n]4cccc5c4c4[n]6cccc4cc5)([n]13)[n]1cccc3c1c1[n]2cccc1cc3.N(=O)(=O)[O-].O.O.O.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.O.O.O.O.O
• Title of publication: A F-bridged Mn(II) molecular square.
• Authors of publication: Meally, Seán T; Mason, Kevin; McArdle, Patrick; Brechin, Euan K; Ryder, Alan G; Jones, Leigh F
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 45
• Pages of publication: 7024 - 7026
• a: 26.912 ± 0.004 Å
• b: 26.912 ± 0.004 Å
• c: 13.231 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9583 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1394
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.2105
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No