Information card for entry 2239629

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(dicyanamido-κ<i>N</i>^1^)cobalt(II)]bis{μ-1,2-bis[(1,2,4-triazol-1-yl)methyl]benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^}]
• Formula: C28 H24 Co N18
• Calculated formula: C28 H24 Co N18
• SMILES: [Co]1(N=C=NC#N)(N=C=NC#N)[n]2cnn(c2)Cc2c(cccc2)Cn2nc[n](c2)[Co](N=C=NC#N)(N=C=NC#N)([n]2cnn(Cc3c(cccc3)Cn3nc[n]1c3)c2)([n]1cnn(Cc2c(cccc2)Cn2ncnc2)c1)[n]1cnn(Cc2c(cccc2)Cn2ncnc2)c1
• Title of publication: <i>catena</i>-Poly[[bis(dicyanamido-κ<i>N</i>^1^)cobalt(II)]bis{μ-1,2-bis[(1,2,4-triazol-1-yl)methyl]benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^}]
• Authors of publication: Zhang, Jixia; Shen, Xiaoping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: m244
• a: 8.517 ± 0.002 Å
• b: 9.092 ± 0.002 Å
• c: 9.622 ± 0.003 Å
• α: 93.984 ± 0.007°
• β: 95.015 ± 0.007°
• γ: 97.587 ± 0.007°
• Cell volume: 733.3 ± 0.3 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: 0.0675
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes