Information card for entry 4510408

Structure parameters

• Formula: C54 H30 Cr3 N6 O28 S3 Zn3
• Calculated formula: C54 H30 Cr3 N6 O28 S3 Zn3
• Title of publication: 4,6-ConnectedfsbTopology Networks Obtained through Two-Step Crystal Engineering of Decorated Trigonal Prismatic Nodes
• Authors of publication: Schoedel, Alexander; Jaquier, Michael; Boyette, Wesley; Wojtas, Lukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 2115
• a: 30.04 ± 0.02 Å
• b: 30.04 ± 0.02 Å
• c: 13.361 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10442 ± 13 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 2 K
• Number of distinct elements: 7
• Space group number: 191
• Hermann-Mauguin space group symbol: P 6/m m m
• Hall space group symbol: -P 6 2
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.1878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No