Information card for entry 1556273

Structure parameters

• Formula: C24 H40 Fe N2 O4
• Calculated formula: C24 H40 Fe N2 O4
• SMILES: C(CCCCC)[NH3+].[Fe]12345678([c]9(C(=O)[O-])[cH]1[cH]3[cH]5[cH]79)[c]1(C(=O)[O-])[cH]2[cH]4[cH]6[cH]81.C(CCCCC)[NH3+]
• Title of publication: Ferrocene based organometallic gelators: a supramolecular synthon approach
• Authors of publication: Sahoo, Pathik; Puranik, Vedavati G.; Patra, A. K.; Sastry, P. U.; Dastidar, Parthasarathi
• Journal of publication: Soft Matter
• Year of publication: 2011
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 3634
• a: 6.3577 ± 0.0013 Å
• b: 9.6425 ± 0.0019 Å
• c: 10.788 ± 0.002 Å
• α: 91.28 ± 0.004°
• β: 103.763 ± 0.004°
• γ: 90.641 ± 0.004°
• Cell volume: 642.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1044
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.2173
• Weighted residual factors for all reflections included in the refinement: 0.2255
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No