Information card for entry 4503363

Structure parameters

• Formula: Cu2 H70 Na4 Ni5 O59 S8
• Calculated formula: Cu2 H48 Na4 Ni5 O59.351 S8
• Title of publication: Cu(SO3)47-: A Readily Accessible Building Block for New Coordination Polymers
• Authors of publication: Abrahams, Brendan F.; Haywood, Marissa G.; Robson, Richard
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 1288
• a: 11.3081 ± 0.0006 Å
• b: 11.3081 ± 0.0006 Å
• c: 23.591 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2612.5 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No