Information card for entry 7022170

Structure parameters

• Formula: C36 H34 Cu5 Mo12 N30 O47 Si
• Calculated formula: C36 H34 Cu5 Mo12 N30 O47 Si
• Title of publication: Secondary spacer modulated assembly of polyoxometalate based metal-organic frameworks.
• Authors of publication: Sha, Jing-Quan; Sun, Jing-Wen; Li, Meng-Ting; Wang, Cheng; Li, Guang-Ming; Yan, Peng-Fei; Sun, Long-Jiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 1667 - 1677
• a: 12.168 ± 0.005 Å
• b: 13.46 ± 0.005 Å
• c: 14.191 ± 0.005 Å
• α: 105.129 ± 0.005°
• β: 111.458 ± 0.005°
• γ: 105.677 ± 0.005°
• Cell volume: 1907.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1211
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No