Information card for entry 7033470

Structure parameters

• Formula: C48.25 H44.25 B Cl1.5 Cu F4 Fe2 N2 O2 P2
• Calculated formula: C48 H44 B Cu F4 Fe2 N2 O2 P2
• Title of publication: Synthesis of phosphinoferrocene amides and thioamides from carbamoyl chlorides and the structural chemistry of Group 11 metal complexes with these mixed-donor ligands.
• Authors of publication: Fernandes, Tiago A.; Solařová, Hana; Císařová, Ivana; Uhlík, Filip; Štícha, Martin; Štěpnička, Petr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 7
• Pages of publication: 3092 - 3108
• a: 15.4973 ± 0.0005 Å
• b: 14.2226 ± 0.0004 Å
• c: 20.7615 ± 0.0005 Å
• α: 90°
• β: 91.252 ± 0.001°
• γ: 90°
• Cell volume: 4575 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 10
• 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: 0.0446
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No