Information card for entry 7032583

Structure parameters

• Formula: C24 H18 Cu N8 O6
• Calculated formula: C24 H18 Cu N8 O6
• SMILES: [Cu]12([n]3ccccc3n3[n]1c1ccccc1c3)([n]1ccccc1n1[n]2c2ccccc2c1)ON(=O)=O.O=N(=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: 18.0728 ± 0.0019 Å
• b: 7.5078 ± 0.0006 Å
• c: 18.9452 ± 0.0019 Å
• α: 90°
• β: 115.277 ± 0.013°
• γ: 90°
• Cell volume: 2324.5 ± 0.5 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No