Information card for entry 2017321

Structure parameters

• Chemical name: Octakis(dimethylammonium) hexa-μ~2~-chlorido-hexachloridotrinickelate(II) dichloride
• Formula: C16 H64 Cl14 N8 Ni3
• Calculated formula: C16 H64 Cl14 N8 Ni3
• SMILES: [NH2+](C)C.[NH2+](C)C.[NH2+](C)C.[NH2+](C)C.[Cl]1[Ni]234([Cl][Ni]([Cl]2)([Cl]4)(Cl)(Cl)Cl)[Cl][Ni]1([Cl]3)(Cl)(Cl)Cl.[Cl-].[NH2+](C)C.[NH2+](C)C.[NH2+](C)C.[NH2+](C)C.[Cl-]
• Title of publication: Octakis(dimethylammonium) hexa-μ~2~-chlorido-hexachloridotrinickelate(II) dichloride: a linear trinickel complex with asymmetric bridging
• Authors of publication: Gerdes, Allison; Bond, Marcus R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m398 - m400
• a: 10.0058 ± 0.0002 Å
• b: 20.0564 ± 0.0004 Å
• c: 10.9787 ± 0.0002 Å
• α: 90°
• β: 92.464 ± 0.001°
• γ: 90°
• Cell volume: 2201.17 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0567
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes