Information card for entry 2015592

Structure parameters

• Chemical name: μ-oxo-bis[bis(2,2'-bipyridine-κ^2^N,N')(sulfato-κO)iron(III)] undecahydrate
• Formula: C40 H54 Fe2 N8 O20 S2
• Calculated formula: C40 H54 Fe2 N8 O20 S2
• SMILES: S(=O)(=O)(O[Fe]12([n]3c(c4[n]1cccc4)cccc3)([n]1ccccc1c1[n]2cccc1)O[Fe]12([n]3ccccc3c3cccc[n]13)([n]1ccccc1c1[n]2cccc1)OS(=O)(=O)[O-])[O-].O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Solvent water tapes in two hydrates of μ-oxo-bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)iron(III)]
• Authors of publication: Onawumi, O. O. E.; Faboya, O. O. P.; Odunola, O. A.; Prasad, T. K.; Rajasekharan, M. V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m480 - m483
• a: 13.7244 ± 0.0008 Å
• b: 21.6461 ± 0.0013 Å
• c: 16.1238 ± 0.0009 Å
• α: 90°
• β: 90.68 ± 0.001°
• γ: 90°
• Cell volume: 4789.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes