Information card for entry 2105550

Structure parameters

• Chemical name: 1,5-pentanediammonium tetrachlorocobaltate
• Formula: C5 H16 Cl4 Co N2
• Calculated formula: C5 H16 Cl4 Co N2
• SMILES: [Co](Cl)(Cl)([Cl-])[Cl-].[NH3+]CCCCC[NH3+]
• Title of publication: Preparation and characterization of tetrachlorocobaltates(II) of α,ω-alkylenediammonium. Magnetic and thermal properties. Crystal structure of [NH~3~(CH~2~)~5~NH~3~]CoCl~4~
• Authors of publication: Criado, J. J.; Jiménez-Sánchez, A.; Cano, F. H.; Sáez-Puche, R.; Rodríguez-Fernández, E.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 947 - 952
• a: 7.1633 ± 0.0007 Å
• b: 15.94 ± 0.003 Å
• c: 11.137 ± 0.002 Å
• α: 90°
• β: 98.44 ± 0.01°
• γ: 90°
• Cell volume: 1257.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0795
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections: 0.1779
• Weighted residual factors for significantly intense reflections: 0.1674
• Goodness-of-fit parameter for all reflections: 1.011
• Goodness-of-fit parameter for significantly intense reflections: 1.117
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No