Information card for entry 4111972

Structure parameters

• Formula: C15.5 H28 Cl3 O3 P Ru
• Calculated formula: C15.5 H28 Cl3 O3 P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P](OC)(OC)OC)[c]6([c]1([c]2([c]3([c]4([c]56C)C)C)C)C)C.ClCCl
• Title of publication: Synthesis and Crystal Structure of an Open Capsule-Type Octanuclear Heterometallic Sulfide Cluster with a Linked Incomplete Double Cubane Framework without an Intramolecular Inversion Center
• Authors of publication: Bunsho Kure; Seiji Ogo; Daisuke Inoki; Hidetaka Nakai; Kiyoshi Isobe; Shunichi Fukuzumi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 14366 - 14374
• a: 15.536 ± 0.002 Å
• b: 9.107 ± 0.0008 Å
• c: 28.617 ± 0.003 Å
• α: 90°
• β: 95.15 ± 0.004°
• γ: 90°
• Cell volume: 4032.6 ± 0.8 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No