Information card for entry 7054781

Structure parameters

• Common name: [Cu2(L2)2(CO3)](ClO4)2.H2O
• Formula: C31 H74 Cl2 Cu2 N8 O12
• Calculated formula: C31 H74 Cl2 Cu2 N8 O12
• 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: 10.5041 ± 0.0011 Å
• b: 23.516 ± 0.003 Å
• c: 18.0212 ± 0.0016 Å
• α: 90°
• β: 101.48 ± 0.02°
• γ: 90°
• Cell volume: 4362.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No