Information card for entry 2019761

Structure parameters

• Chemical name: 4-[(<i>E</i>)-2-(Pyridin-1-ium-2-yl)ethenyl]pyridinium tetrachloridocobaltate(II)
• Formula: C12 H12 Cl4 Co N2
• Calculated formula: C12 H12 Cl4 Co N2
• SMILES: [Co](Cl)(Cl)([Cl-])[Cl-].[nH+]1ccc(cc1)/C=C/c1[nH+]cccc1
• Title of publication: Two novel organic‒inorganic hybrid materials from tetrachloridometallate(II) salts and 4-[(<i>E</i>)-2-(pyridin-1-ium-2-yl)ethenyl]pyridinium
• Authors of publication: Campos-Gaxiola, José J.; Arredondo Rea, Susana P.; Corral Higuera, Ramón; Höpfl, Herbert; Cruz Enríquez, Adriana
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• a: 7.6971 ± 0.0011 Å
• b: 12.4656 ± 0.0018 Å
• c: 15.915 ± 0.002 Å
• α: 90°
• β: 102.171 ± 0.002°
• γ: 90°
• Cell volume: 1492.7 ± 0.4 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: 0.0224
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes