Information card for entry 7113718

Structure parameters

• Formula: C100 H122 Cl8 Mn4 N44 O63
• Calculated formula: C100 H108 Cl8 Mn4 N44 O63
• Title of publication: Synthesis of ionisable [2 × 2] grid-type metallo-arrays and reversible protonic modulation of the optical properties of the [CoII4L4]8+ species
• Authors of publication: Ruben, Mario; Lehn, Jean-Marie; Vaughan, Gavin
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 1338 - 1339
• a: 17.7576 ± 0.0012 Å
• b: 17.9133 ± 0.0012 Å
• c: 24.647 ± 0.0015 Å
• α: 80.381 ± 0.003°
• β: 84.562 ± 0.003°
• γ: 70.98 ± 0.003°
• Cell volume: 7301.1 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1392
• Residual factor for significantly intense reflections: 0.1155
• Weighted residual factors for significantly intense reflections: 0.2766
• Weighted residual factors for all reflections included in the refinement: 0.2902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.42753 Å
• Duplicate of: 7103717
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No