Information card for entry 2014059

Structure parameters

• Chemical name: catena-poly[[bis(3,5-dimethyl-1H-pyrazole-κN^2^)manganese(II)-di-μ- tricyanomethanido-κ^2^N:N']
• Formula: C18 H16 Mn N10
• Calculated formula: C18 H16 Mn N10
• SMILES: [Mn]1([n]2[nH]c(cc2C)C)([n]2[nH]c(cc2C)C)[N]#CC(C#N)=C=N[Mn]([N]#CC(=C=N1)C#N)(N=C=C(C#N)C#N)(N=C=C(C#N)C#N)([n]1[nH]c(cc1C)C)[n]1[nH]c(cc1C)C
• 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: 16.107 ± 0.009 Å
• b: 7.547 ± 0.004 Å
• c: 17.437 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2120 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No