Information card for entry 4316824

Structure parameters

• Formula: C56 H84 N4 O28 Rh2 S4
• Calculated formula: C56 H84 N4 O28 Rh2 S4
• SMILES: O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2c3c1ccc1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(c31)cc2.[OH2][Rh]12345([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)[n]1c(c2[n]5cccc2)cccc1.O.O.O.O.O.O.O.[OH2][Rh]12345([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)[n]1c(cccc1)c1cccc[n]51.O.O.O.O.O.O.O
• Title of publication: Turn-Off-and-On: Chemosensing Ensembles for Sensing Chloride in Water by Fluorescence Spectroscopy
• Authors of publication: Thomas Riis-Johannessen; Kurt Schenk; Kay Severin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9546 - 9553
• a: 11.1077 ± 0.0011 Å
• b: 11.9281 ± 0.0012 Å
• c: 13.6309 ± 0.0014 Å
• α: 77.127 ± 0.008°
• β: 80.898 ± 0.008°
• γ: 75.852 ± 0.008°
• Cell volume: 1696.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0606
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No