Information card for entry 7107553

Structure parameters

• Formula: C254 H318 Ag6 N24 O18 P12 S6
• Calculated formula: C233 H296.97 Ag6 N24 O9 P12 S3
• Title of publication: Selective formation of a polar incomplete coordination cage induced by remote ligand substituents
• Authors of publication: Nicola Giri; William Clegg; Ross W. Harrington; Peter N. Horton; Michael B. Hursthouse; Stuart L. James
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 4061
• a: 39.4527 ± 0.0008 Å
• b: 39.4527 ± 0.0008 Å
• c: 39.4527 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 61409 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.2195
• Residual factor for significantly intense reflections: 0.1112
• Weighted residual factors for significantly intense reflections: 0.3148
• Weighted residual factors for all reflections included in the refinement: 0.361
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No