Information card for entry 2021992

Structure parameters

• Formula: C4 H19 Cl3 Co N4 O1.5
• Calculated formula: C4 H19 Cl3 Co N4 O1.5
• SMILES: [Co]12(Cl)(Cl)([NH2]CC[NH2]1)[NH2]CC[NH2]2.[Cl-].O.O
• Title of publication: Serendipity: Werner's argument that the `two-only forms' (green and violet) of [CoCl~2~(en)~2~]^+^ salts demanded his octahedral model was correct. True?
• Authors of publication: Bernal, Ivan; Lalancette, Roger A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 3
• a: 8.7163 ± 0.0003 Å
• b: 11.1146 ± 0.0004 Å
• c: 14.0703 ± 0.0005 Å
• α: 105.54 ± 0.002°
• β: 94.63 ± 0.002°
• γ: 108.581 ± 0.002°
• Cell volume: 1224.06 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes