Information card for entry 4111973

Structure parameters

• Formula: C15 H27 Mo O4 P Ru S3
• Calculated formula: C15 H27 Mo O4 P Ru S3
• SMILES: [c]12([c]3([c]4([Ru]56713([P](OC)(OC)OC)(S[Mo](=O)(=S)S5)[c]2([c]6([c]47C)C)C)C)C)C
• 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: 9.449 ± 0.006 Å
• b: 16.93 ± 0.01 Å
• c: 13.252 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2120 ± 2 ų
• Cell temperature: 223.2 K
• Number of distinct elements: 7
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No