Information card for entry 7052674

Structure parameters

• Formula: C46 H45 Cr3 N O18 S
• Calculated formula: C45.637 H43.936 Cr3 N O17.694 S
• Title of publication: Oxo-centered carboxylate-bridged trinuclear complexes deposited on Au(111) by a mass-selective electrospray
• Authors of publication: Corradini, Valdis; Cervetti, Christian; Ghirri, Alberto; Biagi, Roberto; del Pennino, Umberto; Timco, Grigore A.; Winpenny, Richard E. P.; Affronte, Marco
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 8
• Pages of publication: 1683
• a: 11.276 ± 0.0014 Å
• b: 21.607 ± 0.003 Å
• c: 21.504 ± 0.003 Å
• α: 90°
• β: 93.406 ± 0.001°
• γ: 90°
• Cell volume: 5230 ± 1.2 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: 0.1566
• Residual factor for significantly intense reflections: 0.1287
• Weighted residual factors for significantly intense reflections: 0.2788
• Weighted residual factors for all reflections included in the refinement: 0.2899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.671 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No