Information card for entry 7054780

Structure parameters

• Common name: [Cu3(L)(CO3)(ClO4)3](ClO4)
• Formula: C52 H69 Cl4 Cu3 N9 O22
• Calculated formula: C52 H69 Cl4 Cu3 N9 O22
• Title of publication: Magneto-structural properties of carbonato-bridged copper(ii) complexes: fixation of atmospheric CO2
• Authors of publication: Massoud, Salah S.; Louka, Febee R.; Al-Hasan, Mustafa A.; Vicente, Ramon; Mautner, Franz A.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 8
• Pages of publication: 5944
• a: 18.6062 ± 0.0018 Å
• b: 18.6062 ± 0.0018 Å
• c: 30.69 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9201 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1849
• Weighted residual factors for all reflections included in the refinement: 0.1895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No