Information card for entry 7032581

Structure parameters

• Formula: C8 H7 N2 O2.5
• Calculated formula: C8 H7 N2 O2.5
• SMILES: [nH]1ncc2cccc(c12)C(=O)O.O
• Title of publication: Discrete and polymeric Cu(ii) complexes featuring substituted indazole ligands: their synthesis and structural chemistry.
• Authors of publication: Hawes, Chris S.; Kruger, Paul E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 43
• Pages of publication: 16450 - 16458
• a: 4.9524 ± 0.0007 Å
• b: 10.9756 ± 0.0009 Å
• c: 14.6313 ± 0.0015 Å
• α: 81.698 ± 0.008°
• β: 83.854 ± 0.01°
• γ: 78.805 ± 0.009°
• Cell volume: 769.42 ± 0.15 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No