Information card for entry 2235498

Structure parameters

• Chemical name: Bis(methanol-1κ<i>O</i>)tetra-μ-pyridazine- 1:2κ^4^<i>N</i>:<i>N</i>';2:3κ^4^<i>N</i>:<i>N</i>'-di-μ-thiocyanato- 1:2κ^2^<i>N</i>:<i>N</i>;2:3κ^2^<i>N</i>:<i>N</i>-tetrathiocyanato- 1κ^2^<i>N</i>,3κ^2^<i>N</i>-trinickel(II) methanol tetrasolvate
• Formula: C28 H40 N14 Ni3 O6 S6
• Calculated formula: C28 H40 N14 Ni3 O6 S6
• SMILES: C(=N[Ni]12([N](=C=S)[Ni]34([n]5cccc[n]15)([n]1cccc[n]21)[N](=C=S)[Ni](N=C=S)(N=C=S)([OH]C)([n]1cccc[n]41)[n]1cccc[n]31)(N=C=S)[OH]C)=S.OC.OC.OC.OC
• Title of publication: Bis(methanol-1κ<i>O</i>)tetra-μ-pyridazine-1:2κ^4^<i>N</i>:<i>N</i>';2:3κ^4^<i>N</i>:<i>N</i>'-di-μ-thiocyanato-1:2κ^2^<i>N</i>:<i>N</i>;2:3κ^2^<i>N</i>:<i>N</i>-tetrathiocyanato-1κ^2^<i>N</i>,3κ^2^<i>N</i>-trinickel(II) methanol tetrasolvate
• Authors of publication: Wöhlert, Susanne; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m940 - m941
• a: 17.6689 ± 0.0012 Å
• b: 15.076 ± 0.0007 Å
• c: 17.9479 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4780.9 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.058
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes