Information card for entry 1556278

Structure parameters

• Formula: C42 H76 Fe N2 O4
• Calculated formula: C42 H62 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: 6.418 ± 0.002 Å
• b: 9.72 ± 0.003 Å
• c: 18.006 ± 0.006 Å
• α: 104.624 ± 0.005°
• β: 98.504 ± 0.006°
• γ: 91.086 ± 0.005°
• Cell volume: 1073.1 ± 0.6 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: 0.0592
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No