Information card for entry 4061884

Structure parameters

• Formula: C24 H21 Fe O2 P S
• Calculated formula: C24 H21 Fe O2 P S
• SMILES: [Fe]12345678([c]9([c]1(P(=S)(c1ccccc1)c1ccccc1)[cH]2[cH]3[cH]49)CC(=O)O)[cH]1[cH]8[cH]7[cH]6[cH]51
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 8.327 ± 0.0002 Å
• b: 11.661 ± 0.0003 Å
• c: 11.7886 ± 0.0002 Å
• α: 99.275 ± 0.001°
• β: 107.325 ± 0.001°
• γ: 104.689 ± 0.001°
• Cell volume: 1021.73 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No