Information card for entry 2205373

Structure parameters

• Chemical name: Diaquabis(1,1,4-trimethylthiosemicarbazide)nickel(II) dinitrate
• Formula: C8 H26 N8 Ni O8 S2
• Calculated formula: C8 H26 N8 Ni O8 S2
• SMILES: C1(N[N](C)(C)[Ni]2([OH2])([S]=1)([N](C)(C)NC(NC)=[S]2)[OH2])NC.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Diaquabis(1,1,4-trimethylthiosemicarbazide)nickel(II) dinitrate
• Authors of publication: Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m551 - m553
• a: 9.464 ± 0.0002 Å
• b: 12.358 ± 0.0002 Å
• c: 9.775 ± 0.0002 Å
• α: 90°
• β: 117.767 ± 0.0013°
• γ: 90°
• Cell volume: 1011.6 ± 0.04 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• 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: 0.0238
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes