Information card for entry 4124760

Structure parameters

• Formula: C67 H108 Cu2 N6 Na2 O11
• Calculated formula: C67 H108 Cu2 N6 Na2 O11
• Title of publication: Perturbing the Copper(III)-Hydroxide Unit through Ligand Structural Variation.
• Authors of publication: Dhar, Debanjan; Yee, Gereon M.; Spaeth, Andrew D.; Boyce, David W.; Zhang, Hongtu; Dereli, Büsra; Cramer, Christopher J.; Tolman, William B.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 1
• Pages of publication: 356 - 368
• a: 28.2007 ± 0.0011 Å
• b: 10.4931 ± 0.0004 Å
• c: 24.5728 ± 0.0009 Å
• α: 90°
• β: 97.5196 ± 0.0012°
• γ: 90°
• Cell volume: 7208.9 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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 all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No