Information card for entry 7060359

Structure parameters

• Formula: C46 H44 Cl2 Fe2 N2 O4 P2 Pd S2
• Calculated formula: C46 H44 Cl2 Fe2 N2 O4 P2 Pd S2
• Title of publication: Synthesis and coordination of a hybrid phosphinoferrocene sulfonamide ligand
• Authors of publication: Varmužová, Věra; Horký, Filip; Štěpnička, Petr
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 6
• Pages of publication: 3319 - 3327
• a: 8.8684 ± 0.0008 Å
• b: 11.2935 ± 0.001 Å
• c: 12.1215 ± 0.0011 Å
• α: 101.103 ± 0.002°
• β: 93.464 ± 0.002°
• γ: 105.757 ± 0.002°
• Cell volume: 1138.35 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No