Information card for entry 4507443

Structure parameters

• Formula: C28 H44 Cu5 I3 N8 S4 W
• Calculated formula: C28 H44 Cu5 I3 N8 S4 W
• Title of publication: Metal-to-Ligand Ratio As a Design Factor in the One-Pot Synthesis of Coordination Polymers with [MS4Cun] (M = W or Mo,n= 3 or 5) Cluster Nodes and a Flexible Pyrazole-Based Bridging Ligand
• Authors of publication: Beheshti, Azizolla; Clegg, William; Nobakht, Valiollah; Harrington, Ross W.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 1023
• a: 10.4014 ± 0.0002 Å
• b: 16.5049 ± 0.0003 Å
• c: 12.6499 ± 0.0002 Å
• α: 90°
• β: 92.9894 ± 0.0017°
• γ: 90°
• Cell volume: 2168.7 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0978
• 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: No
• Has Fobs: No