Information card for entry 4124759

Structure parameters

• Formula: C74 H94 Cu2 N10 O15
• Calculated formula: C74 H94 Cu2 N10 O15
• 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: 12.8711 ± 0.0002 Å
• b: 16.7852 ± 0.0003 Å
• c: 17.7561 ± 0.0003 Å
• α: 92.71 ± 0.001°
• β: 108.615 ± 0.001°
• γ: 90.375 ± 0.001°
• Cell volume: 3630.4 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No