Information card for entry 7700370

Structure parameters

• Formula: C13 H12 Cl3 Co N3
• Calculated formula: C13 H12 Cl3 Co N3
• Title of publication: Long magnetic relaxation time of tetracoordinate Co²⁺ in imidazo[1,5-a]pyridinium-based (C₁₃H₁₂N₃)₂[CoCl₄] hybrid salt and [Co(C₁₃H₁₂N₃)Cl₃] molecular complex.
• Authors of publication: Vassilyeva, Olga Yu; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W.; Rajnák, Cyril; Titiš, Ján; Boča, Roman
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 30
• Pages of publication: 11278 - 11284
• a: 30.956 ± 0.002 Å
• b: 7.5909 ± 0.0002 Å
• c: 14.5621 ± 0.0006 Å
• α: 90°
• β: 116.232 ± 0.004°
• γ: 90°
• Cell volume: 3069.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No