Information card for entry 7105825

Structure parameters

• Formula: C12 H8 Cu N4
• Calculated formula: C12 H8 Cu N4
• Title of publication: Temperature dependent selective gas sorption of the microporous metal-imidazolate framework [Cu(L)] [H2L = 1,4-di(1H-imidazol-4-yl)benzene]
• Authors of publication: Shui-Sheng Chen; Min Chen; Satoshi Takamizawa; Man-Sheng Chen; Zhi Su; Wei-Yin Sun
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 752
• a: 15.1399 ± 0.001 Å
• b: 15.1399 ± 0.001 Å
• c: 8.9784 ± 0.0012 Å
• α: 90°
• β: 90 ± 0.001°
• γ: 120°
• Cell volume: 1782.3 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No