Information card for entry 7028884

Structure parameters

• Formula: C29 H33 B Fe N2
• Calculated formula: C29 H33 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: 17.2196 ± 0.0006 Å
• b: 13.2314 ± 0.0004 Å
• c: 21.5639 ± 0.0007 Å
• α: 90°
• β: 95.074 ± 0.004°
• γ: 90°
• Cell volume: 4893.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No