Information card for entry 4336357

Structure parameters

• Formula: C43 H30 Cu2 N7 O17
• Calculated formula: C43 H30 Cu2 N7 O17
• Title of publication: In Situ Generation of Functionality in a Reactive Haloalkane-Based Ligand for the Design of New Porous Coordination Polymers
• Authors of publication: Prakash Kanoo; Ryotaro Matsuda; Hiroshi Sato; Liangchun Li; Hyung Joon Jeon; Susumu Kitagawa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10735 - 10737
• a: 14.563 ± 0.003 Å
• b: 34.392 ± 0.007 Å
• c: 19.462 ± 0.004 Å
• α: 90°
• β: 101.57 ± 0.03°
• γ: 90°
• Cell volume: 9549 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1889
• Residual factor for significantly intense reflections: 0.1247
• Weighted residual factors for significantly intense reflections: 0.3071
• Weighted residual factors for all reflections included in the refinement: 0.357
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No