Information card for entry 7033468

Structure parameters

• Formula: C25 H23 Cl3 Fe N O2 P
• Calculated formula: C25 H23 Cl3 Fe N O2 P
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=O)NC)[c]1(P(=O)(c2ccccc2)c2ccccc2)[cH]5[cH]6[cH]7[cH]81.C(Cl)(Cl)Cl
• 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: 35.0409 ± 0.0009 Å
• b: 10.9004 ± 0.0003 Å
• c: 12.9603 ± 0.0003 Å
• α: 90°
• β: 93.644 ± 0.001°
• γ: 90°
• Cell volume: 4940.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No