Information card for entry 4060803

Structure parameters

• Formula: C22 H19 Fe P S
• Calculated formula: C22 H19 Fe P S
• SMILES: [Fe]12345678([cH]9[c]4(S)[cH]3[cH]2[cH]19)[cH]1[c]8(P(c2ccccc2)c2ccccc2)[cH]7[cH]6[cH]51
• Title of publication: Rhodium and Iridium Phosphinothiolato Complexes. Synthesis and Crystal Structure of Mononuclear [M(cod)(S,P-SC2B10H10PPh2)] and Dinuclear [M2(CO)2(S,P-u- SC2B10H10PPh2)] (M= Rh or Ir) and Their Performance in Catalytic Carbonylation
• Journal of publication: Organometallics
• Year of publication: 2002
• a: 8.708 ± 0.004 Å
• b: 17.125 ± 0.005 Å
• c: 13.134 ± 0.004 Å
• α: 90°
• β: 107.53 ± 0.05°
• γ: 90°
• Cell volume: 1867.5 ± 1.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1484
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No