Information card for entry 4337292

Structure parameters

• Formula: C72 H77 Ag6 F6 N30 O10 S2
• Calculated formula: C72 H78 Ag6 F6 N30 O10 S2
• Title of publication: Metal-induced isomerization of a molecular strand containing contradictory dynamic coordination sites.
• Authors of publication: Hutchinson, Daniel J.; James, Matthew P.; Hanton, Lyall R.; Moratti, Stephen C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 2122 - 2132
• a: 34.0737 ± 0.0014 Å
• b: 20.2018 ± 0.0013 Å
• c: 33.1437 ± 0.0011 Å
• α: 90°
• β: 91.233 ± 0.003°
• γ: 90°
• Cell volume: 22809.2 ± 1.9 ų
• Cell temperature: 100.01 ± 0.13 K
• Ambient diffraction temperature: 100.01 ± 0.13 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1268
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.2576
• Weighted residual factors for all reflections included in the refinement: 0.2857
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No