Information card for entry 7113098

Structure parameters

• Formula: C25 H24 Cl N O7.5 P Pd
• Calculated formula: C25 H21 Cl N O7.5 P Pd
• SMILES: [O-]Cl(=O)(=O)=O.[Pd]12([P](c3c(C=[N]1c1c(O2)cccc1)cccc3)(c1ccccc1)c1ccccc1)[OH2].O.O
• Title of publication: An organopalladium chromogenic chemodosimeter for the selective naked-eye detection of Hg(2+) and MeHg(+) in water-ethanol 1 : 1 mixture.
• Authors of publication: Del Campo, O.; Carbayo, A.; Cuevas, J. V.; Muñoz, A; García-Herbosa, G; Moreno, D.; Ballesteros, E.; Basurto, S.; Gómez, T; Torroba, T.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 38
• Pages of publication: 4576 - 4578
• a: 18.345 ± 0.002 Å
• b: 22.576 ± 0.003 Å
• c: 14.71 ± 0.0017 Å
• α: 90°
• β: 122.192 ± 0.002°
• γ: 90°
• Cell volume: 5155.7 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0596
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No