Information card for entry 7047429

Structure parameters

• Formula: C181 H176 Cu6 La2 N12 O12
• Calculated formula: C181 H176 Cu6 La2 N12 O12
• Title of publication: Synthesis of novel copper-rare earth BINOLate frameworks from a hydrogen bonding DBU-H rare earth BINOLate complex.
• Authors of publication: Panetti, Grace B.; Robinson, Jerome R.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Walsh, Patrick J.; Schelter, Eric J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 41
• Pages of publication: 14408 - 14410
• a: 15.565 ± 0.013 Å
• b: 11.095 ± 0.008 Å
• c: 23.637 ± 0.013 Å
• α: 90°
• β: 106.22 ± 0.03°
• γ: 90°
• Cell volume: 3919 ± 5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No