Information card for entry 2008785

Structure parameters

• Formula: C48 H68 Cl6 N10 Ni2 O16
• Calculated formula: C48 H68 Cl6 N10 Ni2 O16
• SMILES: C1c2cccc[n]2[Ni]234([N]1(Cc1[n]2cccc1)Cc1cccc[n]31)[Cl][Ni]123([N](Cc5cccc[n]15)(Cc1cccc[n]21)Cc1[n]3cccc1)[Cl]4.[NH+](CC)(CC)CC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[NH+](CC)(CC)CC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Di-μ-chloro-bis{[tris(2-pyridylmethyl)amine-κ^4^<i>N</i>]nickel(II)} bis(triethylammonium) tetraperchlorate
• Authors of publication: Bing Tong; Richard E. Norman; Shih-Chi Chang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1236 - 1238
• a: 11.511 ± 0.004 Å
• b: 22.022 ± 0.003 Å
• c: 12.521 ± 0.002 Å
• α: 90°
• β: 107.71 ± 0.02°
• γ: 90°
• Cell volume: 3023.6 ± 1.3 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294.2 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: 0.097
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections: 1.672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.96
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No