Information card for entry 2226891

Structure parameters

• Common name: Hexakis(thiourea-κ<i>S</i>)nickel(II) nitrate
• Chemical name: Hexakis(thiourea-κ<i>S</i>)nickel(II) dinitrate
• Formula: C6 H24 N14 Ni O6 S6
• Calculated formula: C6 H24 N14 Ni O6 S6
• SMILES: C(N)(N)=[S][Ni]([S]=C(N)N)([S]=C(N)N)([S]=C(N)N)([S]=C(N)N)[S]=C(N)N.O=N(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Hexakis(thiourea-κ<i>S</i>)nickel(II) nitrate: a redetermination
• Authors of publication: Monim-ul-Mehboob, Muhammad; Akkurt, Mehmet; Khan, Islam Ullah; Sharif, Shahzad; Asif, Iram; Ahmad, Saeed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: i57 - i58
• a: 22.4433 ± 0.0006 Å
• b: 9.2398 ± 0.0003 Å
• c: 16.3136 ± 0.0005 Å
• α: 90°
• β: 129.724 ± 0.001°
• γ: 90°
• Cell volume: 2601.96 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0418
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes