Information card for entry 4062185

Structure parameters

• Formula: C44 H40 Cl3 N O2 P2 Ru S
• Calculated formula: C44 H40 Cl3 N O2 P2 Ru S
• SMILES: [Ru]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1oc(OCC)nc(=S)c1c1ccccc1)[cH]1[cH]2[cH]3[cH]4[cH]51.C(Cl)(Cl)Cl
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 14.1727 ± 0.0005 Å
• b: 15.6797 ± 0.0005 Å
• c: 18.5534 ± 0.0006 Å
• α: 94.6404 ± 0.001°
• β: 98.1618 ± 0.0008°
• γ: 90.4884 ± 0.0008°
• Cell volume: 4067 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 8
• 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