Information card for entry 2219562

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(2,2':6',2''- terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')(tricyanomethanido- κ<i>N</i>)nickel(II)]-μ-tricyanomethanido]
• Formula: C46 H22 N18 Ni2
• Calculated formula: C46 H22 N18 Ni2
• SMILES: [Ni]12([n]3ccccc3c3[n]1c(ccc3)c1[n]2cccc1)(N=C=C(C#N)C#N)N=C=C(C#N)C#[N][Ni]12(N=C=C(C#N)C#N)([n]3ccccc3c3[n]1c(ccc3)c1[n]2cccc1)N=C=C(C#N)C#N
• Title of publication: <i>catena</i>-Poly[[(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')(tricyanomethanido-κ<i>N</i>)nickel(II)]-μ-tricyanomethanido]
• Authors of publication: Luo, Jun; Zhang, Xin-Rong; Dai, Wei-Quan; Cui, Li-Li; Liu, Bao-Shu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1322 - m1323
• a: 8.41 ± 0.003 Å
• b: 15.581 ± 0.005 Å
• c: 16.816 ± 0.005 Å
• α: 93.762 ± 0.004°
• β: 90.11 ± 0.004°
• γ: 97.572 ± 0.005°
• Cell volume: 2179.5 ± 1.2 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: 0.0754
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes