Information card for entry 4338017

Structure parameters

• Formula: C245.5 H183.5 Cu16 N51.5 O23
• Calculated formula: C245.5 H175 Cu16 N51.5 O23
• Title of publication: Linear or Cyclic Clusters of Cu(II) with a Hierarchical Relationship.
• Authors of publication: Craig, Gavin A.; Schütze, Mike; Aguilà, David; Roubeau, Olivier; Ribas-Ariño, Jordi; Vela, Sergi; Teat, Simon J.; Aromí, Guillem
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3290
• a: 40.052 ± 0.006 Å
• b: 41.569 ± 0.006 Å
• c: 40.712 ± 0.006 Å
• α: 90°
• β: 117.881 ± 0.004°
• γ: 90°
• Cell volume: 59914 ± 15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No