Information card for entry 2218523

Structure parameters

• Chemical name: <i>trans</i>-Bis(1<i>H</i>-indole-3-carbaldehyde thiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>)nickel(II)
• Formula: C20 H18 N8 Ni S2
• Calculated formula: C20 H18 N8 Ni S2
• SMILES: c12ccccc2[nH]cc1C=[N]1[Ni]2(SC(=N1)N)[N](=Cc1c3ccccc3[nH]c1)N=C(N)S2
• Title of publication: <i>trans</i>-Bis(1<i>H</i>-indole-3-carbaldehyde thiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>)nickel(II)
• Authors of publication: Rizal, Mohd. Razali; Ali, Hapipah M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m824
• a: 10.4388 ± 0.0003 Å
• b: 5.2604 ± 0.0001 Å
• c: 19.1122 ± 0.0005 Å
• α: 90°
• β: 104.803 ± 0.002°
• γ: 90°
• Cell volume: 1014.66 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes