Information card for entry 7106988

Structure parameters

• Formula: C73 H85 Cu12 N27 O45
• Calculated formula: C73 H85 Cu12 N27 O45
• Title of publication: Incorporation of active metal sites in MOFs via in situ generated ligand deficient metal-linker complexes
• Authors of publication: Samir Barman; Hiroyasu Furukawa; Olivier Blacque; Koushik Venkatesan; Omar M. Yaghi; Guo-Xin Jin; Heinz Berke
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 11882
• a: 15.3345 ± 0.0001 Å
• b: 14.5465 ± 0.0001 Å
• c: 26.2229 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5849.37 ± 0.09 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1738
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No