Information card for entry 4111974

Structure parameters

• Formula: C16.4 H29.1 Cu I Mo N0.7 O4 P Ru S3
• Calculated formula: C16.4 H29.1 Cu I Mo N0.7 O4 P Ru S3
• 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: 8.934 ± 0.004 Å
• b: 23.35 ± 0.01 Å
• c: 13.258 ± 0.007 Å
• α: 90°
• β: 96.171 ± 0.007°
• γ: 90°
• Cell volume: 2750 ± 2 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 10
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 0.809
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No