Information card for entry 7053465

Structure parameters

• Common name: ruthenocenyldiphosphene
• Formula: C37 H68 P2 Ru Si6
• Calculated formula: C37 H68 P2 Ru Si6
• SMILES: P(=Pc1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)[c]12[cH]3[cH]4[cH]5[cH]1[Ru]16782345[cH]2[cH]8[cH]7[cH]6[cH]12
• Title of publication: Synthesis, structures and properties of biferrocenyl- and ruthenocenyl-substituted diphosphenes
• Authors of publication: Sasamori, Takahiro; Hori, Akimi; Kaneko, Yoshikazu; Tokitoh, Norihiro
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1560
• a: 9.6151 ± 0.0001 Å
• b: 10.6365 ± 0.0002 Å
• c: 24.852 ± 0.0004 Å
• α: 97.9195 ± 0.0007°
• β: 96.8663 ± 0.0006°
• γ: 110.167 ± 0.0008°
• Cell volume: 2324.61 ± 0.06 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No