Information card for entry 4120434

Structure parameters

• Formula: C16 H23 Cl Cu N7 O6
• Calculated formula: C16 H23 Cl Cu N7 O6
• Title of publication: Rotating phenyl rings as a guest-dependent switch in two-dimensional metal-organic frameworks.
• Authors of publication: Murdock, Christopher R.; McNutt, Nicholas W.; Keffer, David J.; Jenkins, David M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 2
• Pages of publication: 671 - 678
• a: 7.3259 ± 0.0008 Å
• b: 21.889 ± 0.002 Å
• c: 30.024 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4814.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.1384
• Residual factor for significantly intense reflections: 0.1288
• Weighted residual factors for significantly intense reflections: 0.3591
• Weighted residual factors for all reflections included in the refinement: 0.3659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No