Information card for entry 7113819

Structure parameters

• Formula: C50 H71 N9 Ni2 O4 S8
• Calculated formula: C50 H71 N9 Ni2 O4 S8
• Title of publication: Metal-directed self-assembly of bimetallic dithiocarbamate transition metal cryptands and their binding capabilities
• Authors of publication: Beer, Paul D.; Berry, Neil G.; Cowley, Andrew R.; Hayes, Elizabeth J.; Oates, Edward C.; Wong, Wallace W. H.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 19
• Pages of publication: 2408 - 2409
• a: 34.0525 ± 0.0006 Å
• b: 19.3859 ± 0.0004 Å
• c: 9.4251 ± 0.0002 Å
• α: 90°
• β: 102.058 ± 0.003°
• γ: 90°
• Cell volume: 6084.6 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104827
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No