Information card for entry 2014058

Structure parameters

• Chemical name: catena-Poly[[bis(1H-benzotriazole-κN^3^)cobalt(II)]-di-μ-tricyanomethanido- κ^2^N:N']
• Formula: C20 H10 Co N12
• Calculated formula: C20 H10 Co N12
• SMILES: [Co]1([n]2n[nH]c3c2cccc3)([n]2n[nH]c3c2cccc3)[N]#CC(C#N)=C=N[Co]([N]#CC(=C=N1)C#N)(N=C=C(C#N)C#N)(N=C=C(C#N)C#N)([n]1n[nH]c2c1cccc2)[n]1n[nH]c2c1cccc2
• Title of publication: <i>catena</i>-Poly[[bis(1<i>H</i>-benzotriazole-κ<i>N</i>^3^)cobalt(II)]-di-μ-tricyanomethanido-κ^2^<i>N</i>:<i>N</i>'] and <i>catena</i>-poly[[bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)manganese(II)]-di-μ-tricyanomethanido-κ^2^<i>N</i>:<i>N</i>']
• 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 C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m250 - m253
• a: 7.287 ± 0.002 Å
• b: 7.962 ± 0.003 Å
• c: 9.583 ± 0.003 Å
• α: 75.643 ± 0.004°
• β: 76.678 ± 0.004°
• γ: 89.697 ± 0.004°
• Cell volume: 523.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0524
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No