Information card for entry 7015867

Structure parameters

• Formula: C29 H29 Cl2 Cu N5 O9 S
• Calculated formula: C29 H29 Cl2 Cu N5 O9 S
• Title of publication: Selective colorimetric and fluorometric sensing of Cu(ii) by iminocoumarin derivative in aqueous buffer.
• Authors of publication: Ahamed, B. Nisar; Ghosh, Pradyut
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 24
• Pages of publication: 6411 - 6419
• a: 9.4372 ± 0.0017 Å
• b: 10.2806 ± 0.0019 Å
• c: 16.58 ± 0.003 Å
• α: 91.398 ± 0.004°
• β: 97.951 ± 0.004°
• γ: 100.572 ± 0.004°
• Cell volume: 1564 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No