Information card for entry 2204342

Structure parameters

• Chemical name: catena-Poly[[bis(1H-1,2,3-benzotriazole\-kN^3^)cobalt(II)]-di-μ-dicyanamido- κ^4^N^1^:N^3^]
• Formula: C16 H10 Co N12
• Calculated formula: C16 H10 Co N12
• SMILES: [Co]1([n]2n[nH]c3c2cccc3)([n]2n[nH]c3c2cccc3)[N]#CN=C=N[Co](N=C=NC#N)(N=C=NC#N)([N]#CN=C=N1)([n]1n[nH]c2c1cccc2)[n]1n[nH]c2c1cccc2
• Title of publication: <i>catena</i>-Poly[[bis(1<i>H</i>-1,2,3-benzotriazole-κ<i>N</i>^3^)cobalt(II)]-di-μ-dicyanamido-κ^4^<i>N</i>^1^:<i>N</i>^3^]
• Authors of publication: Jun Luo; Bao-Shu Liu; Xi-Geng Zhou; Lin-Hong Weng; Yan-Rong Li; Rui-Fang Cai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1391 - m1393
• a: 17.259 ± 0.006 Å
• b: 7.249 ± 0.003 Å
• c: 8.03 ± 0.003 Å
• α: 90°
• β: 114.002 ± 0.005°
• γ: 90°
• Cell volume: 917.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes