Information card for entry 7236179

Structure parameters

• Formula: C39 H35 Cd2 Cl5 Cr3 N7 O16
• Calculated formula: C39 H31 Cd2 Cl5 Cr3 N7 O16
• 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: 23.751 ± 0.003 Å
• b: 30.607 ± 0.004 Å
• c: 23.764 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17275 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.1758
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.2555
• Weighted residual factors for all reflections included in the refinement: 0.3387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No