Information card for entry 7028883

Structure parameters

• Formula: C23 H29 B Fe N2
• Calculated formula: C23 H29 B Fe N2
• Title of publication: Ferrocenyl pyrazaboles: design, synthesis, structure, and properties.
• Authors of publication: Misra, Rajneesh; Jadhav, Thaksen; Mobin, Shaikh M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 5
• Pages of publication: 2013 - 2022
• a: 13.8211 ± 0.0018 Å
• b: 14.6473 ± 0.0009 Å
• c: 11.4189 ± 0.001 Å
• α: 90°
• β: 111.981 ± 0.013°
• γ: 90°
• Cell volume: 2143.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.0987
• Weighted residual factors for significantly intense reflections: 0.2878
• Weighted residual factors for all reflections included in the refinement: 0.2992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No