Information card for entry 4063110

Structure parameters

• Common name: [RuClI(PCP)]
• Formula: C53 H51 Cl2 Fe2 I N2 O0.5 P2 Ru
• Calculated formula: C53 H51 Cl2 Fe2 I N2 O0.5 P2 Ru
• SMILES: I[Ru]12(Cl)[P]([c]34[Fe]56789%10%11([c]3([cH]5[cH]6[cH]47)[C@H](N3C=2N(C=C3)[C@H](C)[c]23[Fe]4567%12%13%14([c]2([P]1(c1ccccc1)c1ccccc1)[cH]4[cH]5[cH]36)[cH]1[cH]7[cH]%12[cH]%13[cH]%141)C)[cH]1[cH]8[cH]9[cH]%10[cH]%111)(c1ccccc1)c1ccccc1.OC(C)C.C(Cl)Cl
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 11.5599 ± 0.0014 Å
• b: 24.807 ± 0.003 Å
• c: 18.429 ± 0.002 Å
• α: 90°
• β: 96.331 ± 0.003°
• γ: 90°
• Cell volume: 5252.7 ± 1.1 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 9
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No