Information card for entry 2242321

Structure parameters

• Chemical name: 1-[(2,2-Dimethylhydrazin-1-ylidene)methyl]-1'-(diphenylphosphorothioyl)ferrocene
• Formula: C25 H25 Fe N2 P S
• Calculated formula: C25 H25 Fe N2 P S
• SMILES: [Fe]12345678([c]9(P(=S)(c%10ccccc%10)c%10ccccc%10)[cH]1[cH]2[cH]3[cH]49)[c]1([cH]5[cH]6[cH]7[cH]81)/C=N/N(C)C
• Title of publication: The crystal structure of a new ferrocenyl P,N ligand: 1-[(2,2-dimethylhydrazin-1-ylidene)methyl]-1'-(diphenylphosphorothioyl)ferrocene
• Authors of publication: Mouas, Toma Nardjes; Daran, Jean-Claude; Merazig, Hocine; Manoury, Eric
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• Pages of publication: 133 - 136
• a: 12.0684 ± 0.0005 Å
• b: 13.9953 ± 0.0004 Å
• c: 14.0634 ± 0.0005 Å
• α: 73.682 ± 0.003°
• β: 86.6 ± 0.003°
• γ: 88.884 ± 0.003°
• Cell volume: 2275.61 ± 0.14 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes