Information card for entry 4327803

Structure parameters

• Formula: C36 H33 Hg I2 N5 O2
• Calculated formula: C36 H33 Hg I2 N5 O2
• SMILES: [Hg]1(I)(I)[n]2c3ccccc3ccc2C=[N]1N1C2(c3ccccc3C1=O)c1cc(c(NCC)cc1Oc1cc(NCC)c(cc21)C)C
• Title of publication: Recognition of Hg2+ and Cr3+ in Physiological Conditions by a Rhodamine Derivative and Its Application as a Reagent for Cell-Imaging Studies
• Authors of publication: Sukdeb Saha; Prasenjit Mahato; Upendar Reddy G; E. Suresh; Arindam Chakrabarty; Mithu Baidya; Sudip K. Ghosh; Amitava Das
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 336 - 345
• a: 38.4292 ± 0.0017 Å
• b: 9.4617 ± 0.0004 Å
• c: 19.7407 ± 0.0009 Å
• α: 90°
• β: 105.358 ± 0.001°
• γ: 90°
• Cell volume: 6921.5 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No