Information card for entry 2104681

Structure parameters

• Formula: C24 H17.2 Fe Na2 O4.6
• Calculated formula: C24 H17.2 Fe Na2 O4.6
• SMILES: C([O-])(=O)c1ccc(cc1)[c]12[Fe]3456789([cH]1[cH]5[cH]6[cH]27)[c]1([cH]8[cH]9[cH]3[cH]41)c1ccc(cc1)C([O-])=O.O.[Na+].[Na+]
• Title of publication: 1,1'-Fc(4-C~6~H~4~CO~2~Et)~2~ and its unusual salt derivative with <i>Z</i>' = 5, <i>catena</i>-[Na^+^]~2~[1,1'-Fc(4-C~6~H~4~CO~2~^{-^})~2~]·0.6H~2~O [1,1'-Fc = (η^5^-(C~5~H~4~)~2~Fe]
• Authors of publication: Gallagher, John F.; Alley, Steven; Brosnan, Marianne; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: 196 - 205
• a: 36.4368 ± 0.001 Å
• b: 11.5998 ± 0.0004 Å
• c: 45.8014 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19358.4 ± 1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2296
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes