Information card for entry 2013940

Structure parameters

• Chemical name: Tetraaquabis[5-(4-pyridyl N-oxide)tetrazolato-κN^2^]cadmium
• Formula: C12 H16 Cd N10 O6
• Calculated formula: C12 H16 Cd N10 O6
• SMILES: c1(c2ccn(cc2)=O)nnn([Cd]([OH2])(n2nnc(c3ccn(cc3)=O)n2)([OH2])([OH2])[OH2])n1
• Title of publication: Tetraaquabis[5-(4-pyridyl <i>N</i>-oxide)tetrazolato-κ<i>N</i>^2^]cadmium: the intermediate in the synthesis of a tetrazole from a nitrile and an azide
• Authors of publication: Yu, Zhaoxiang; Wang, Xiaoping; Feng, Yaoyu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m194 - m196
• a: 21.871 ± 0.004 Å
• b: 7.0825 ± 0.0014 Å
• c: 11.417 ± 0.002 Å
• α: 90°
• β: 96.52 ± 0.03°
• γ: 90°
• Cell volume: 1757.1 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No