Information card for entry 7157281

Structure parameters

• Formula: C88 H128 Cl2 Cu N8 O12
• Calculated formula: C88 H128 Cl2 Cu N8 O12
• Title of publication: Effect of n-alkyl substitution on Cu(ii)-selective chemosensing of rhodamine B derivatives.
• Authors of publication: Mishra, Santosh Kumar; Dehuri, Suryakanta; Bag, Bamaprasad
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 2
• Pages of publication: 316 - 332
• a: 13.492 ± 0.002 Å
• b: 22.47 ± 0.002 Å
• c: 14.213 ± 0.001 Å
• α: 90°
• β: 99.15 ± 0.01°
• γ: 90°
• Cell volume: 4254.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0888
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.1918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No