Information card for entry 4323268

Structure parameters

• Formula: C66 H56 Ni S4 Ti2
• Calculated formula: C66 H56 Ni S4 Ti2
• Title of publication: Synthesis of Alkynechalcogenolato Complexes of Titanocene(IV) and Samarocene(III) and Formation of a Ti2Ni Trinuclear Cluster [Cp2Ti(μ-SC\τbCPh)2]2Ni
• Authors of publication: Hiroyasu Sugiyama; Yuji Hayashi; Hiroyuki Kawaguchi; Kazuyuki Tatsumi
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 6773 - 6779
• a: 13.203 ± 0.002 Å
• b: 16.596 ± 0.009 Å
• c: 25.794 ± 0.004 Å
• α: 90°
• β: 93.19 ± 0.01°
• γ: 90°
• Cell volume: 5643 ± 3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• 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: 0.0434
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 2.203
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No