Information card for entry 4507444

Structure parameters

• Formula: C45 H73 Cu6 I2 N13 O S8 W2
• Calculated formula: C45 H73 Cu6 I2 N13 O S8 W2
• 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: 20.117 ± 0.0011 Å
• b: 18.9892 ± 0.0014 Å
• c: 16.9251 ± 0.001 Å
• α: 90°
• β: 94.561 ± 0.005°
• γ: 90°
• Cell volume: 6445 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1162
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No