Information card for entry 7002733

Structure parameters

• Formula: C11 H21 Cl Cu N10 O4
• Calculated formula: C11 H21 Cl Cu N10 O4
• SMILES: [Cu]123(n4nnnc4c4ncccn4)[N](CC[NH2]2)(CC[NH2]3)CC[NH2]1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Influence of metal ions, coligands and reaction conditions on the structural versatility and properties of 5-pyrimidyl-tetrazolate containing complexes
• Authors of publication: Rodríguez-Diéguez, Antonio; Mota, Antonio J.; Seco, José M.; Palacios, María A.; Romerosa, Antonio; Colacio, Enrique
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 43
• Pages of publication: 9578 - 9586
• a: 15.2828 ± 0.0005 Å
• b: 7.8531 ± 0.0003 Å
• c: 15.2177 ± 0.0005 Å
• α: 90°
• β: 108.555 ± 0.001°
• γ: 90°
• Cell volume: 1731.45 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0324
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No