Information card for entry 1563780

Structure parameters

• Formula: C19 H46 Cl6 Cu4 N5 O5
• Calculated formula: C12 H26 Cl6 Cu4 N4 O
• Title of publication: [Cu4OCl6(DABCO)2]·0.5DABCO·4CH3OH (“MFU-5”): Modular synthesis of a zeolite-like metal-organic framework constructed from tetrahedral {Cu4OCl6} secondary building units and linear organic linkers
• Authors of publication: Liu, Ying-Ya; Grzywa, Maciej; Weil, Matthias; Volkmer, Dirk
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2010
• Journal volume: 183
• Journal issue: 1
• Pages of publication: 208 - 217
• a: 25.645 ± 0.009 Å
• b: 25.645 ± 0.009 Å
• c: 17.105 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9742 ± 8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 192
• Hermann-Mauguin space group symbol: P 6/m c c
• Hall space group symbol: -P 6 2c
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No