Information card for entry 2205360

Structure parameters

• Chemical name: Diaquabis(biuretato-κ^2^O,O')nickel(II) dichloride
• Formula: C4 H14 Cl2 N6 Ni O6
• Calculated formula: C4 H14 Cl2 N6 Ni O6
• SMILES: [Ni]12([O]=C(NC(=[O]1)N)N)([O]=C(NC(=[O]2)N)N)([OH2])[OH2].[Cl-].[Cl-]
• Title of publication: Diaquabis(biuretato-κ^2^<i>O</i>,<i>O</i>')nickel(II) dichloride
• Authors of publication: Lawson, Jeffrey; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m525 - m527
• a: 7.3872 ± 0.0004 Å
• b: 27.5675 ± 0.0016 Å
• c: 7.6687 ± 0.0004 Å
• α: 90°
• β: 117.344 ± 0.001°
• γ: 90°
• Cell volume: 1387.21 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0987
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes