Information card for entry 7236180

Structure parameters

• Formula: C36 H54 Cr3 Cu3 N13 O49
• Calculated formula: C36 H24 Cr3 Cu3 N6 O28
• Title of publication: Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block
• Authors of publication: Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 44
• Pages of publication: 8578
• a: 20.772 ± 0.009 Å
• b: 20.772 ± 0.009 Å
• c: 21.053 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7867 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.2137
• Weighted residual factors for all reflections included in the refinement: 0.2411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No