Information card for entry 2210609

Structure parameters

• Chemical name: trans-Dipyridinebis(sulfamerazinato)nickel(II)‒pyridine (1/4)
• Formula: C52 H52 N14 Ni O4 S2
• Calculated formula: C52 H52 N14 Ni O4 S2
• SMILES: c1cccc[n]1[Ni]12(N(c3[n]1ccc(n3)C)S(=O)(=O)c1ccc(cc1)N)([n]1ccccc1)N(c1[n]2ccc(n1)C)S(=O)(=O)c1ccc(cc1)N.c1ccccn1.c1ncccc1.c1ccccn1.c1ccccn1
• Title of publication: <i>trans</i>-Dipyridinebis(sulfamerazinato)nickel(II)‒pyridine (1/4)
• Authors of publication: G. M. Golzar Hossain; A. J. Amoroso
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2721 - m2722
• a: 9.9781 ± 0.0002 Å
• b: 10.061 ± 0.0002 Å
• c: 13.2582 ± 0.0004 Å
• α: 89.744 ± 0.001°
• β: 82.238 ± 0.001°
• γ: 84.144 ± 0.001°
• Cell volume: 1311.85 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes