Information card for entry 7006869

Structure parameters

• Common name: (La(tpen)(OH))2(Otf)4.3CH3CN
• Formula: C62 H67 F12 La2 N15 O14 S4
• Calculated formula: C62 H67 F12 La2 N15 O14 S4
• Title of publication: Fixation of atmospheric CO2 by a dimeric lanthanum hydroxide complex; assembly of an unusual hexameric carbonate.
• Authors of publication: Natrajan, Louise; Pécaut, Jacques; Mazzanti, Marinella
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 8
• Pages of publication: 1002 - 1005
• a: 14.056 ± 0.003 Å
• b: 15.309 ± 0.003 Å
• c: 18.514 ± 0.004 Å
• α: 78.59 ± 0.03°
• β: 84.49 ± 0.03°
• γ: 81.36 ± 0.03°
• Cell volume: 3851.8 ± 1.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No