Information card for entry 7038658

Structure parameters

• Common name: [Zn2(BDC)2(DABCO)],3Benzene
• Formula: C40 H38 N2 O8 Zn2
• Calculated formula: C40 H38 N2 O8 Zn2
• Title of publication: The guest-dependent thermal response of the flexible MOF Zn2(BDC)2(DABCO).
• Authors of publication: Kim, Yonghwi; Haldar, Ritesh; Kim, Hyunuk; Koo, Jaehyoung; Kim, Kimoon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 10
• Pages of publication: 4187 - 4192
• a: 13.5015 ± 0.0008 Å
• b: 17.0533 ± 0.001 Å
• c: 9.6093 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2212.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0586
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No