Information card for entry 7236183

Structure parameters

• Formula: C78 H84 Cl6 Cr6 Mn3 N14 O44
• Calculated formula: C78 H48 Cl6 Cr6 Mn3 N12 O38
• 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: 22.045 ± 0.002 Å
• b: 22.045 ± 0.002 Å
• c: 21.768 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9161.6 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 193
• Hermann-Mauguin space group symbol: P 63/m c m
• Hall space group symbol: -P 6c 2
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1945
• Weighted residual factors for all reflections included in the refinement: 0.2415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No