Information card for entry 1540405

Structure parameters

• Formula: C29 H23 Cu N12 O3.5
• Calculated formula: C29 H19 Cu N12 O1.5
• 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: 11.9248 ± 0.001 Å
• b: 11.9276 ± 0.0012 Å
• c: 13.4576 ± 0.0011 Å
• α: 71.6 ± 0.008°
• β: 68.381 ± 0.008°
• γ: 70.668 ± 0.008°
• Cell volume: 1637.7 ± 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: 0.0963
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.2831
• Weighted residual factors for all reflections included in the refinement: 0.2987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.254
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No