Information card for entry 7006868

Structure parameters

• Common name: (La(tpen)(Otf)3).CH3CN
• Formula: C31 H31 F9 La N7 O9 S3
• Calculated formula: C31 H31 F9 La N7 O9 S3
• SMILES: [La]12345([N](Cc6[n]2cccc6)(Cc2[n]3cccc2)CC[N]1(Cc1[n]4cccc1)Cc1[n]5cccc1)(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F.N#CC
• 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: 14.733 ± 0.006 Å
• b: 16.032 ± 0.007 Å
• c: 17.135 ± 0.007 Å
• α: 90°
• β: 96.697 ± 0.007°
• γ: 90°
• Cell volume: 4020 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No