Information card for entry 7105273

Structure parameters

• Formula: C17 H28 Cl2 Cu2 N2 O14
• Calculated formula: C17 H28 Cl2 Cu2 N2 O14
• SMILES: [Cu]123([O]4[Cu]5([OH]2)[N](=Cc2c4c(C=[N]1C(C[OH]3)(C)C)cc(c2)C)C(C[OH]5)(C)C)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: A new water-soluble copper(II) complex as a selective fluorescent sensor for azide ion.
• Authors of publication: Dhara, Koushik; Saha, Uday Chand; Dan, Abhijit; Sarkar, Sandipan; Manassero, Mario; Chattopadhyay, Pabitra
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 1754 - 1756
• a: 6.9798 ± 0.0004 Å
• b: 12.399 ± 0.0007 Å
• c: 15.5894 ± 0.0008 Å
• α: 100.199 ± 0.002°
• β: 101.453 ± 0.002°
• γ: 96.492 ± 0.002°
• Cell volume: 1285.93 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No