Information card for entry 1540404

Structure parameters

• Formula: C22 H16 Cu N14 O
• Calculated formula: C22 H16 Cu N14 O
• SMILES: [Cu]1([n]2cccc3c2c2[n]1cccc2cc3)(n1nnnc1c1nccnc1)n1nnnc1c1nccnc1.O
• Title of publication: Targeted water soluble copper-tetrazolate complexes: interactions with biomolecules and catecholase like activities.
• Authors of publication: Saha, Manideepa; Das, Mriganka; Nasani, Rajendar; Choudhuri, Indrani; Yousufuddin, Muhammed; Nayek, Hari Pada; Shaikh, Mobin M.; Pathak, Biswarup; Mukhopadhyay, Suman
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 46
• Pages of publication: 20154 - 20167
• a: 12.3344 ± 0.0008 Å
• b: 14.2954 ± 0.0009 Å
• c: 15.4511 ± 0.0005 Å
• α: 95.631 ± 0.004°
• β: 107.583 ± 0.004°
• γ: 108.242 ± 0.006°
• Cell volume: 2410.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No