Information card for entry 7033465

Structure parameters

• Formula: C25 H24 Fe N P S
• Calculated formula: C25 H24 Fe N P S
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)C(=S)N(C)C)[c]1([cH]8[cH]7[cH]6[cH]51)P(c1ccccc1)c1ccccc1
• 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: 11.4811 ± 0.0003 Å
• b: 24.8305 ± 0.0007 Å
• c: 7.6806 ± 0.0002 Å
• α: 90°
• β: 101.066 ± 0.001°
• γ: 90°
• Cell volume: 2148.88 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0335
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No