Information card for entry 4060547

Structure parameters

• Formula: C62 H76 N2 O8 P4 Ru
• Calculated formula: C62 H76 N2 O8 P4 Ru
• SMILES: [c]12([cH]3[cH]4[c]5([cH]6[cH]1[Ru]17823456[CH](=[CH]1C7(P(c1c8cccc1)(c1ccccc1)=NP(=O)(OCC)OCC)P(c1ccccc1)(c1ccccc1)=NP(=O)(OCC)OCC)C(c1ccccc1)(c1ccccc1)O)C)C(C)C.O(CC)CC
• Title of publication: Iminophosphorane-based nucleophilic ruthenium(II) carbene complexes: An unusual C-C coupling and C-H activation by the addition of alkynes to the Ru=C bond
• Authors of publication: Victorio Cadierno; Josefina Díez; Joaquín García-Álvarez; José Gimeno
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 16.057 ± 0.003 Å
• b: 18.188 ± 0.004 Å
• c: 22.403 ± 0.005 Å
• α: 90°
• β: 109.04 ± 0.03°
• γ: 90°
• Cell volume: 6185 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No