Information card for entry 7037921

Structure parameters

• Formula: C11 H7 Cu N9
• Calculated formula: C11 H7 Cu N9
• SMILES: n12nnnc1c1[n]3c(ccc1)c1[n](cccc1)[Cu]23N=N#N
• Title of publication: Azide-bridged Cu(ii), Mn(ii) and Co(ii) coordination polymers constructed with a bifunctional ligand of 6-(1H-tetrazol-5-yl)-2,2'-bipyridine.
• Authors of publication: Tsao, Jung-Yu; Tsai, Jia-Dong; Yang, Chen-I
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3388 - 3397
• a: 6.7773 ± 0.0005 Å
• b: 20.7006 ± 0.0016 Å
• c: 8.3965 ± 0.0007 Å
• α: 90°
• β: 91.211 ± 0.001°
• γ: 90°
• Cell volume: 1177.72 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 4
• 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: 0.0427
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No