Information card for entry 7028364

Structure parameters

• Formula: C26 H26 Fe N O2 P S
• Calculated formula: C26 H26 Fe N O2 P S
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=O)NCCSC)[c]1(P(=O)(c2ccccc2)c2ccccc2)[cH]5[cH]6[cH]7[cH]81
• Title of publication: Synthesis and structural characterisation of Pd(II) and Pt(II) complexes with a flexible, ferrocene-based P,S-donor amidophosphine ligand.
• Authors of publication: Tauchman, Jiří; Císařová, Ivana; Stěpnička, Petr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 4
• Pages of publication: 1599 - 1608
• a: 10.5814 ± 0.0004 Å
• b: 11.0866 ± 0.0004 Å
• c: 11.8118 ± 0.0004 Å
• α: 69.962 ± 0.001°
• β: 64.83 ± 0.001°
• γ: 81.931 ± 0.001°
• Cell volume: 1178.15 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No