Information card for entry 7720643

Structure parameters

• Formula: C14 H16 Br Fe N O
• Calculated formula: C14 H16 Br Fe N O
• Title of publication: Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and catalytic evaluation of their gold(I) complexes.
• Authors of publication: Rezazgui, David; Císařová, Ivana; Štěpnička, Petr; Schulz, Jiří
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 13
• Pages of publication: 5397 - 5407
• a: 10.3806 ± 0.0005 Å
• b: 9.2842 ± 0.0004 Å
• c: 27.3337 ± 0.0012 Å
• α: 90°
• β: 91.979 ± 0.002°
• γ: 90°
• Cell volume: 2632.7 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0169
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.0427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No