Information card for entry 2224112

Structure parameters

• Chemical name: 4,4'-(Propane-1,3-diyl)dipyridinium tetrachloridonickelate(II)
• Formula: C13 H16 Cl4 N2 Ni
• Calculated formula: C13 H16 Cl4 N2 Ni
• SMILES: c1cc(cc[nH+]1)CCCc1cc[nH+]cc1.[Cl-][Ni](Cl)(Cl)[Cl-]
• Title of publication: 4,4'-(Propane-1,3-diyl)dipyridinium tetrachloridonickelate(II)
• Authors of publication: Du, Zhong-Xiang; Qu, Ju-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1656
• a: 7.2358 ± 0.0007 Å
• b: 20.773 ± 0.002 Å
• c: 11.1246 ± 0.0011 Å
• α: 90°
• β: 90.627 ± 0.001°
• γ: 90°
• Cell volume: 1672 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.0451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes