Information card for entry 2203234

Structure parameters

• Chemical name: Bis(μ-5-phenyltetrazolate-κ^2^N^2^:N^3^)bis[(2,2'-bipyridine- κ^2^N,N')bis(5-phenyltetrazolate-κN^2^)copper(II)]
• Formula: C48 H36 Cu2 N20
• Calculated formula: C48 H36 Cu2 N20
• SMILES: c12c3cccc[n]3[Cu]3(n4nnc(n4)c4ccccc4)(n4nc(n[n]4[Cu]4(n5nc(n[n]35)c3ccccc3)(n3nnc(n3)c3ccccc3)[n]3ccccc3c3cccc[n]43)c3ccccc3)[n]2cccc1
• Title of publication: Bis(μ-5-phenyltetrazolate-κ^2^<i>N</i>^2^:<i>N</i>^3^)bis[(2,2'-bipyridine-κ^2^<i>N,N</i>')bis(5-phenyltetrazolate-κ<i>N</i>^2^)copper(II)]
• Authors of publication: Ze-Huai, Shao; Jun, Luo; Rui-Fang, Cai; Xi-Geng, Zhou; Lin-Hong, Weng; Zhen-Xia, Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: m225 - m227
• a: 10.196 ± 0.003 Å
• b: 10.41 ± 0.004 Å
• c: 13.308 ± 0.005 Å
• α: 79.46 ± 0.005°
• β: 68.928 ± 0.004°
• γ: 61.01 ± 0.004°
• Cell volume: 1152.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes