Information card for entry 2312858

Structure parameters

• Formula: C4 H16 Cl4 Co N2
• Calculated formula: C4 H16 Cl4 Co N2
• SMILES: CC[NH3+].CC[NH3+].Cl[Co](Cl)([Cl-])[Cl-]
• Title of publication: Effect of the transition metal on the structure and order-disorder phase transition in layered hybrid metal halides (CH₃CH₂NH₃)₂[MCl₄] (M = Mn and Co).
• Authors of publication: Jakhi, Shatakshi S.; Dhanetwal, Meenal; Reddy, V. Raghavendra; Hathwar, Venkatesha R.
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 3
• a: 9.7066 ± 0.0006 Å
• b: 7.6312 ± 0.0005 Å
• c: 16.9019 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1251.97 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.0427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes