Information card for entry 7021660

Structure parameters

• Formula: C30 H36 Cl3 N3 Ni P2 Ru
• Calculated formula: C30 H36 Cl3 N3 Ni P2 Ru
• SMILES: [Ru]1234(Cl)([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P]56C[N]7([Ni](Cl)(Cl)[N](C5)(C)CN(C6)C7)C)[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Synthesis and antiproliferative activity of the heterobimetallic complexes [RuClCp(PPh3)-μ-dmoPTA-1κP:2κ(2)N,N'-MCl2] (M = Co, Ni, Zn; dmoPTA = 3,7-dimethyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane).
• Authors of publication: Serrano-Ruiz, Manuel; Aguilera-Sáez, Luis Manuel; Lorenzo-Luis, Pablo; Padrón, José M; Romerosa, Antonio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 31
• Pages of publication: 11212 - 11219
• a: 14.8944 ± 0.0009 Å
• b: 9.4708 ± 0.0006 Å
• c: 22.5306 ± 0.0014 Å
• α: 90°
• β: 102.325 ± 0.001°
• γ: 90°
• Cell volume: 3105 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No