Information card for entry 7233420

Structure parameters

• Formula: C10 H11 Cu N O5
• Calculated formula: C10 H11 Cu N O5
• Title of publication: Synthesis and structural characterisation of the copper MOF: STAM-NMe2
• Authors of publication: McHugh, Lauren N.; Olivera Perez, Leonardo J.; Wheatley, Paul S.; Cordes, David B.; Slawin, Alexandra M. Z.; Morris, Russell E.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 36
• Pages of publication: 5387
• a: 18.5382 ± 0.0005 Å
• b: 18.5382 ± 0.0005 Å
• c: 6.7599 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2011.9 ± 0.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 164
• Hermann-Mauguin space group symbol: P -3 m 1
• Hall space group symbol: -P 3 2"
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No