Information card for entry 4326083

Structure parameters

• Formula: C211 H368 Cu16 N34 O S24
• Calculated formula: C211 H320 Cu16 N34 O S24
• Title of publication: A Copper(I) Homocubane Collapses to a Tetracapped Tetrahedron Upon Hydride Insertion
• Authors of publication: Ping-Kuei Liao; Kuan-Guan Liu; Ching-Shiang Fang; C. W. Liu; John P. Fackler; Ying-Yann Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8410 - 8417
• a: 16.9201 ± 0.0018 Å
• b: 16.9808 ± 0.0018 Å
• c: 24.707 ± 0.003 Å
• α: 76.071 ± 0.002°
• β: 73.921 ± 0.002°
• γ: 76.239 ± 0.002°
• Cell volume: 6508 ± 1.3 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No