Information card for entry 2011361

Structure parameters

• Formula: C16 H32 Cl4 N4 Ni2 O9
• Calculated formula: C16 H32 Cl4 N4 Ni2 O9
• SMILES: [Ni]1([OH2])([OH2])([OH2])([OH2]4)[n]2[n]3[Ni]4(Cl)([OH2])([OH2])[n]4c(c3ccc2-c2n1c(C)ccc2)cccc4C.[Cl-].[Cl-].[Cl-].O.O.O
• Title of publication: μ-Aqua-pentaaqua[μ-3,6-bis(6-methyl-2-pyridyl)pyridazine]chlorodinickel(II) trichloride trihydrate
• Authors of publication: Sung, Nack-Do; Yun, Ki-Seob; Kim, Jin-Gyu; Suh, Il-Hwan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: e370 - e371
• a: 11.1807 ± 0.0011 Å
• b: 11.626 ± 0.003 Å
• c: 11.7904 ± 0.0016 Å
• α: 112.119 ± 0.013°
• β: 103.677 ± 0.01°
• γ: 96.013 ± 0.014°
• Cell volume: 1347.2 ± 0.5 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 289 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes