Information card for entry 7704415

Structure parameters

• Formula: C303.74 H272.41 Cu12 N24.93 O64
• Calculated formula: C303.736 H272.406 Cu12 N24.934 O64
• Title of publication: Novel syntheses of carbazole-3,6-dicarboxylate ligands and their utilization for porous coordination cages.
• Authors of publication: Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 45
• Pages of publication: 16340 - 16347
• a: 20.36 ± 0.0011 Å
• b: 21.1957 ± 0.0011 Å
• c: 23.9825 ± 0.0013 Å
• α: 81.376 ± 0.003°
• β: 71.855 ± 0.003°
• γ: 68.009 ± 0.003°
• Cell volume: 9112.8 ± 0.9 ų
• Cell temperature: 109 ± 2 K
• Ambient diffraction temperature: 109 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.2405
• Weighted residual factors for all reflections included in the refinement: 0.2718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No