Information card for entry 7236182

Structure parameters

• Formula: C117 H155 Cl14 Cr6 Cu6 N27 O42
• Calculated formula: C117 H153 Cl13.9998 Cr6 Cu6 N27 O41.9999
• 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: 21.6177 ± 0.0006 Å
• b: 21.6177 ± 0.0006 Å
• c: 61.464 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 24875.4 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.11 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No