Information card for entry 7034683

Structure parameters

• Formula: C18 H12 Cl1.38 Cu2 N6 O4
• Calculated formula: C18 H12 Cl1.375 Cu2 N6 O4
• Title of publication: Solvent-induced secondary building unit (SBU) variations in a series of Cu(ii) metal-organic frameworks derived from a bifunctional ligand.
• Authors of publication: Chen, Di-Ming; Ma, Jian-Gong; Cheng, Peng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 19
• Pages of publication: 8926 - 8931
• a: 7.0918 ± 0.0003 Å
• b: 28.8888 ± 0.0015 Å
• c: 19.0752 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3908 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 65
• Hermann-Mauguin space group symbol: C m m m
• Hall space group symbol: -C 2 2
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.197
• Weighted residual factors for all reflections included in the refinement: 0.2075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No