Information card for entry 4332968

Structure parameters

• Formula: C36 H81 As Cl4 N24 Ni O24 S4 W3
• Calculated formula: C36 As Cl4 N24 Ni O36 S4 W3
• Title of publication: Synthesis and Structure of Nickel-Containing Cuboidal Clusters Derived from [W3Se4(H2O)9]4+. Site-Differentiated Substitution at the Nickel Site in the Series [W3NiQ4(H2O)10]4+(Q = S, Se)
• Authors of publication: Hernández-Molina, Rita; Sokolov, Maxim N.; Clausen, Maria; Clegg, William
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10567 - 10575
• a: 12.3438 ± 0.0006 Å
• b: 12.5011 ± 0.0006 Å
• c: 24.4502 ± 0.0011 Å
• α: 100.095 ± 0.002°
• β: 90.307 ± 0.002°
• γ: 95.425 ± 0.002°
• Cell volume: 3697 ± 0.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.258
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No