Information card for entry 2004878

Structure parameters

• Common name: [Bis(benzimidazol-2ylethyl)sulfide] Nickel(II)nitrate
• Formula: C36 H36 N10 Ni O6 S2
• Calculated formula: C36 H36 N10 Ni O6 S2
• SMILES: [Ni]1234([S](CCc5[n]3c3c([nH]5)cccc3)CCc3[n]4c4c([nH]3)cccc4)[S](CCc3[n]1c1c([nH]3)cccc1)CCc1[n]2c2c([nH]1)cccc2.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Bis[bis(2-benzimidazol-2-ylethyl) sulfide]nickel(II) Dinitrate
• Authors of publication: Pandiyan, T.; Panneerselvam, K.; Soriano-García, M.; Durán de Bazúa, C.; Holt, E. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1137 - 1139
• a: 9.809 ± 0.004 Å
• b: 10.011 ± 0.004 Å
• c: 21.975 ± 0.008 Å
• α: 91.77 ± 0.01°
• β: 91.62 ± 0.01°
• γ: 113.03 ± 0.02°
• Cell volume: 1983.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0829
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections: 0.1364
• Weighted residual factors for significantly intense reflections: 0.1181
• Goodness-of-fit parameter for all reflections: 1.073
• Goodness-of-fit parameter for significantly intense reflections: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No