Information card for entry 7109569

Structure parameters

• Formula: C68 H88 Cu4 N8 O24
• Calculated formula: C68 H88 Cu4 N8 O24
• SMILES: C1(=O)C(C(=O)[O]2[Cu]3([n]4c(c5[n]3cccc5)cccc4)(O1)[O]1C(=O)C(C(=O)O[Cu]321[n]1c(c2[n]3cccc2)cccc1)CCCC)CCCC.C1(=O)C(C(=O)O[Cu]2([n]3c(c4[n]2cccc4)cccc3)(O1)[OH2])CCCC.O.O.O.C1(=O)C(C(=O)O[Cu]2([n]3c(c4[n]2cccc4)cccc3)(O1)[OH2])CCCC.O.O.O
• Title of publication: A luminescent-water soluble inorganic co-crystal for a selective pico-molar range arsenic(III) sensor in water medium
• Authors of publication: Biswajit Dey; Rajat Saha; Priyanka Mukherjee
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7064
• a: 10.4804 ± 0.0004 Å
• b: 13.7007 ± 0.0005 Å
• c: 14.5785 ± 0.0005 Å
• α: 75.368 ± 0.001°
• β: 76.086 ± 0.001°
• γ: 70.713 ± 0.001°
• Cell volume: 1883.27 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No