Information card for entry 4084689

Structure parameters

• Formula: C38 H50 F6 Fe N4 O2 P2 Ru
• Calculated formula: C38 H50 F6 Fe N4 O2 P2 Ru
• SMILES: CCC[N]1[Ru]23456([c]7([cH]2[cH]3[c]4([cH]5[cH]67)C)C(C)C)(Oc2c(C=1)ccc(c2)/C=C/[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)[P]12CN3CN(C2)CN(C1)C3.O.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: First- and Second-Generation Heterometallic Dendrimers Containing Ferrocenyl‒Ruthenium(II)‒Arene Motifs: Synthesis, Structure, Electrochemistry, and Preliminary Cell Proliferation Studies
• Authors of publication: Govender, Preshendren; Lemmerhirt, Heidi; Hutton, Alan T.; Therrien, Bruno; Bednarski, Patrick J.; Smith, Gregory S.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5535
• a: 11.0255 ± 0.0008 Å
• b: 8.6471 ± 0.0005 Å
• c: 41.358 ± 0.003 Å
• α: 90°
• β: 98.991 ± 0.006°
• γ: 90°
• Cell volume: 3894.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1888
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No