Information card for entry 4327802

Structure parameters

• Formula: C75 H72 Cl10 Hg2 N10 O5
• Calculated formula: C75 H72 Cl10 Hg2 N10 O5
• SMILES: [Hg]12(Cl)(Cl)[O]=C3N([N]2=Cc2[n]1c1ccccc1cc2)C1(c2ccccc32)c2cc(c(NCC)cc2Oc2cc(NCC)c(cc12)C)C.C(Cl)(Cl)Cl.CO
• 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: 32.831 ± 0.002 Å
• b: 17.1862 ± 0.0011 Å
• c: 29.3246 ± 0.0018 Å
• α: 90°
• β: 110.427 ± 0.001°
• γ: 90°
• Cell volume: 15505.7 ± 1.7 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: 0.0469
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1035
• 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