Information card for entry 7047430

Structure parameters

• Formula: C87 H84 Cu3 N6 O6 Pr
• Calculated formula: C87 H84 Cu3 N6 O6 Pr
• 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: 15.447 ± 0.0005 Å
• b: 11.1229 ± 0.0004 Å
• c: 23.5679 ± 0.0009 Å
• α: 90°
• β: 106.343 ± 0.001°
• γ: 90°
• Cell volume: 3885.7 ± 0.2 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: 0.0342
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No