Information card for entry 2205269

Structure parameters

• Chemical name: μ-Oxo-κ^2^O:O-bis[bis(1,10-phenanthroline-κ^2^N,N')(sulfato-κO)iron(III)] octahydrate
• Formula: C48 H48 Fe2 N8 O17 S2
• Calculated formula: C48 H48 Fe2 N8 O17 S2
• SMILES: c1ccc2c3[n]1[Fe]1([n]4cccc(cc2)c34)([n]2cccc3c2c2[n]1cccc2cc3)(O[Fe]12([n]3cccc4c3c3c(cc4)ccc[n]13)([n]1cccc3c1c1[n]2cccc1cc3)OS(=O)(=O)[O-])OS(=O)(=O)[O-].O.O.O.O.O.O.O.O
• Title of publication: μ-Oxo-κ^2^<i>O</i>:<i>O</i>-bis[bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)iron(III)] octahydrate
• Authors of publication: Odoko, Mamiko; Okabe, Nobuo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m587 - m589
• a: 21.645 ± 0.008 Å
• b: 14.15 ± 0.01 Å
• c: 16.48 ± 0.01 Å
• α: 90°
• β: 97.51 ± 0.03°
• γ: 90°
• Cell volume: 5004 ± 5 ų
• Cell temperature: 296 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 significantly intense reflections: 0.0374
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No