Information card for entry 2106002

Structure parameters

• Formula: C4 H12 Cl4 Co N2
• Calculated formula: C4 H12 Cl4 Co N2
• SMILES: [Co](Cl)(Cl)([Cl-])[Cl-].[NH2+]1CC[NH2+]CC1
• Title of publication: (C~4~H~12~N~2~)[CoCl~4~]: tetrahedrally coordinated Co^2+^ without the orbital degeneracy
• Authors of publication: Decaroli, C.; Arevalo-Lopez, A. M.; Woodall, C. H.; Rodriguez, E. E.; Attfield, J. P.; Parker, S. F.; Stock, C.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• a: 8.2876 ± 0.0006 Å
• b: 11.1324 ± 0.0009 Å
• c: 11.9121 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1099.02 ± 0.15 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0436
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes