Information card for entry 7016649

Structure parameters

• Formula: C135 H111 Cd6 N24 Na2 O30
• Calculated formula: C135 H111 Cd6 N24 Na2 O30
• Title of publication: A sixfold interpenetrated microporous MOF constructed from heterometallic tetranuclear cluster exhibiting selective gas adsorption.
• Authors of publication: Li, Yun-Wu; Wang, Li-Fu; He, Kun-Huan; Chen, Qiang; Bu, Xian-He
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 40
• Pages of publication: 10319 - 10321
• a: 18.643 ± 0.003 Å
• b: 18.643 ± 0.003 Å
• c: 24.945 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7508 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 182
• Hermann-Mauguin space group symbol: P 63 2 2
• Hall space group symbol: P 6c 2c
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No