Information card for entry 7004698

Structure parameters

• Formula: C74 H60 Cu2 N2 P4 S2
• Calculated formula: C74 H60 Cu2 N2 P4 S2
• Title of publication: The role of short-range diffusion in solvent-assisted mechanochemical synthesis of metal complexes
• Authors of publication: Bowmaker, Graham A.; Hanna, John V.; Hart, Robert D.; Skelton, Brian W.; White, Allan H.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 39
• Pages of publication: 5290 - 5292
• a: 23.617 ± 0.0004 Å
• b: 13.5021 ± 0.0002 Å
• c: 20.1922 ± 0.0003 Å
• α: 90°
• β: 105.453 ± 0.002°
• γ: 90°
• Cell volume: 6206.1 ± 0.18 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No