Information card for entry 7000284

Structure parameters

• Formula: C24 H34 B10 Fe Ru S2
• Calculated formula: C24 H34 B10 Fe Ru S2
• SMILES: [BH]1234[BH]567[BH]89%10[B]%11%12%13%14[BH]%15%169[BH]968[BH]615[BH]152[BH]%11%15([BH]%16961)[C]14%135[C]37%10%12S[C]2(=[CH2][Ru]34567%142([c]2([cH]3[cH]4[c]5([cH]6[cH]72)C(C)C)C)S1)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12
• Title of publication: Addition of ethynylferrocene to transition-metal complexes containing a chelating 1,2-dicarba-closo-dodecaborane-1,2-dichalcogenolate ligand—in vitro cooperativity of a ruthenium compound on cellular uptake of an anticancer drug
• Authors of publication: Wu, De-Hong; Wu, Chun-Hui; Li, Yi-Zhi; Guo, Da-Dong; Wang, Xue-Mei; Yan, Hong
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 2
• Pages of publication: 285 - 290
• a: 12.0731 ± 0.0012 Å
• b: 10.8897 ± 0.0011 Å
• c: 22.075 ± 0.002 Å
• α: 90°
• β: 100.646 ± 0.002°
• γ: 90°
• Cell volume: 2852.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No