Information card for entry 2012185

Structure parameters

• Formula: C19 H13 N7 Ni2 O
• Calculated formula: C9.5 H6.5 N3.5 Ni O0.5
• SMILES: [Ni](C#N)(C#[N][Ni]12([OH2])[n]3c(c4[n]1cccc4)cccc3c1[n]2cccc1)(C#N)C#[N][Ni]12([OH2])([n]3c(c4[n]1cccc4)cccc3c1[n]2cccc1)[N]#C[Ni](C#N)(C#N)C#N
• Title of publication: [Ni(terpy)(H~2~O)]-<i>trans</i>-[Ni-(μ-CN)~2~-(CN)~2~]~<i>n~</i>, a one-dimensional linear tetracyanonickelate chain
• Authors of publication: Woodward, Jonathan D.; Backov, Rénal; Abboud, Khalil A.; Talham, Daniel R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: 1027 - 1029
• a: 15.5712 ± 0.0008 Å
• b: 11.5546 ± 0.0006 Å
• c: 11.2428 ± 0.0006 Å
• α: 90°
• β: 97.076 ± 0.001°
• γ: 90°
• Cell volume: 2007.39 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes