Information card for entry 7102512

Structure parameters

• Formula: C24 H54 Br2 Ni2 S2 Si2
• Calculated formula: C24 H54 Br2 Ni2 S2 Si2
• Title of publication: First row wheels, [((t)Bu(3)SiS)MX](12)(M = Co, X = Cl; M = Ni, X = Br), are common amongst both simpler and more complex aggregates.
• Authors of publication: Sydora, Orson L; Wolczanski, Peter T; Lobkovsky, Emil B; Rumberger, Evan; Hendrickson, David N
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 6
• Pages of publication: 650 - 651
• a: 26.128 ± 0.016 Å
• b: 26.128 ± 0.016 Å
• c: 24.69 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14597 ± 18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 0.2261
• Residual factor for significantly intense reflections: 0.1491
• Weighted residual factors for significantly intense reflections: 0.3646
• Weighted residual factors for all reflections included in the refinement: 0.4001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No