Information card for entry 4348974

Structure parameters

• Formula: C18 H16 Cl Cu N6 O4
• Calculated formula: C18 H16 Cl Cu N6 O4
• Title of publication: Isoreticular synthesis of 2D MOFs with rotating aryl rings
• Authors of publication: Hughes, Brianna C.; Murdock, Christopher R.; Jenkins, David M.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 11
• Pages of publication: 1001
• a: 23.95 ± 0.004 Å
• b: 7.2064 ± 0.0011 Å
• c: 18.712 ± 0.003 Å
• α: 90°
• β: 123.58 ± 0.003°
• γ: 90°
• Cell volume: 2690.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.2363
• Weighted residual factors for all reflections included in the refinement: 0.2507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No