Information card for entry 7062625

Structure parameters

• Formula: C14 H16 Cl12 Cu N6 O2
• Calculated formula: C14 H16 Cl12 Cu N6 O2
• Title of publication: Spodium, halogen and hydrogen bonds in the reactivity of bis(2,4-bis(trichloromethyl)-1,3,5-triazapentadienato)-Zn(ii)
• Authors of publication: Garazade, Ismayil M.; Gurbanov, Atash V.; Gomila, Rosa M.; Frontera, Antonio; Nunes, Ana V. M.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 34
• Pages of publication: 15856 - 15861
• a: 12.961 ± 0.004 Å
• b: 9.431 ± 0.003 Å
• c: 13.904 ± 0.004 Å
• α: 90°
• β: 119.71 ± 0.015°
• γ: 90°
• Cell volume: 1476.1 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No