Information card for entry 4511624

Structure parameters

• Formula: C298 H121 Cu17 N25 O137 S12
• Calculated formula: C596 H242 Cu34 N50 O274 S24
• Title of publication: Suprasupermolecular Chemistry: Infinite Networks from Nanoscale Metal−Organic Building Blocks†
• Authors of publication: McManus, Gregory J.; Wang, Zhenqiang; Zaworotko, Michael J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2004
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 11
• a: 30.4712 ± 0.0011 Å
• b: 46.5263 ± 0.0017 Å
• c: 30.4916 ± 0.0011 Å
• α: 90°
• β: 98.478 ± 0.001°
• γ: 90°
• Cell volume: 42756 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2117
• Residual factor for significantly intense reflections: 0.1829
• Weighted residual factors for significantly intense reflections: 0.4509
• Weighted residual factors for all reflections included in the refinement: 0.4675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No