Information card for entry 1556276

Structure parameters

• Formula: C38 H68 Fe N2 O4
• Calculated formula: C38 H50 Fe N2 O4
• 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: 6.383 ± 0.003 Å
• b: 9.819 ± 0.004 Å
• c: 16.098 ± 0.007 Å
• α: 76.759 ± 0.007°
• β: 85.454 ± 0.006°
• γ: 88.787 ± 0.006°
• Cell volume: 979 ± 0.7 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: 0.0609
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No