Information card for entry 7024455

Structure parameters

• Formula: C42 H76 K2 N6 Ru2 Zn2
• Calculated formula: C42 H76 K2 N6 Ru2 Zn2
• SMILES: C[Zn]([c]12[cH]3[cH]4[cH]5[cH]1[Ru]16782345[cH]2[cH]1[cH]7[cH]8[cH]62)C.[K]12[N](CC[N]1(CC[N]2(C)C)C)(C)C
• Title of publication: Potassium-mediated zincation of ferrocene and ruthenocene: potassium, the architect behind supramolecular structural variations.
• Authors of publication: Clegg, William; Conway, Ben; García-Alvarez, Pablo; Kennedy, Alan R.; Klett, Jan; Mulvey, Robert E.; Russo, Luca
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 62 - 65
• a: 8.8165 ± 0.0003 Å
• b: 11.938 ± 0.0004 Å
• c: 12.9284 ± 0.0005 Å
• α: 114.673 ± 0.004°
• β: 95.4 ± 0.003°
• γ: 99.969 ± 0.003°
• Cell volume: 1196.61 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No