Information card for entry 7028882

Structure parameters

• Formula: C42 H58 B2 Fe2 N4
• Calculated formula: C42 H58 B2 Fe2 N4
• 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: 11.2575 ± 0.0005 Å
• b: 12.755 ± 0.0003 Å
• c: 15.5389 ± 0.0005 Å
• α: 103.893 ± 0.002°
• β: 109.461 ± 0.003°
• γ: 97.674 ± 0.003°
• Cell volume: 1985.85 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0375
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No