Information card for entry 7040168

Structure parameters

• Formula: C12 H11 Cl3 Co N6
• Calculated formula: C12 H11 Cl3 Co N6
• SMILES: [Co](Cl)(Cl)([n]1n[nH]c2c1cccc2)Cl.[nH]1n[nH+]c2c1cccc2
• Title of publication: Mechanochemical and thermal formation of 1H-benzotriazole coordination polymers and complexes of 3d-transition metals with intriguing dielectric properties.
• Authors of publication: Brede, Franziska A.; Mühlbach, Friedrich; Sextl, Gerhard; Müller-Buschbaum, Klaus
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10609 - 10619
• a: 6.7169 ± 0.0013 Å
• b: 9.6741 ± 0.0019 Å
• c: 12.513 ± 0.003 Å
• α: 94.91 ± 0.03°
• β: 103.38 ± 0.03°
• γ: 94.97 ± 0.03°
• Cell volume: 783.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No