Information card for entry 7032579

Structure parameters

• Formula: C12 H9 N3
• Calculated formula: C12 H9 N3
• SMILES: n1ccccc1n1ncc2ccccc12
• 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: 5.002 ± 0.0006 Å
• b: 13.078 ± 0.002 Å
• c: 14.257 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 932.6 ± 0.2 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No