Information card for entry 7238881

Structure parameters

• Formula: C88 H80 Fe4 O4
• Calculated formula: C88 H80 Fe4 O4
• Title of publication: Ferrocenyl substituted calixarenes: synthesis, structure and properties
• Authors of publication: Sharma, Rekha; Margani, Ramesh; Mobin, Shaikh M.; Misra, Rajneesh
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 17
• Pages of publication: 5785
• a: 15.7383 ± 0.0004 Å
• b: 50.6519 ± 0.0011 Å
• c: 18.0535 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14391.8 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No