Information card for entry 7014109

Structure parameters

• Formula: C18 H42 Cl5 Cu N12 O18 S4 W3
• Calculated formula: C18 H18 Cl4.99 Cu N12 O18 S4 W3
• Title of publication: Aqueous solution chemistry of [Mo3CuSe4]n+ (n = 4, 5) and [W3CuQ4]5+ (Q = S, Se) clusters.
• Authors of publication: Hernandez-Molina, Rita; Sokolov, Maxim; Esparza, Pedro; Vicent, Cristian; Llusar, Rosa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 6
• Pages of publication: 847 - 851
• a: 16.276 ± 0.003 Å
• b: 16.276 ± 0.003 Å
• c: 32.367 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7426 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No