Information card for entry 7000450

Structure parameters

• Formula: C26 H44 Cu4 F4 Mo12 N12 O53 P
• Calculated formula: C26 H22 Cu4 F4 Mo12 N12 O53 P
• Title of publication: Combination of POMs and deliberately designed macrocations: a rational approach for synthesis of POM-pillared metal‒organic framework
• Authors of publication: Lan, Ya-Qian; Li, Shun-Li; Shao, Kui-Zhan; Wang, Xin-Long; Hao, Xiang-Rong; Su, Zhong-Min
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 6
• Pages of publication: 940 - 947
• a: 12.919 ± 0.0012 Å
• b: 24.929 ± 0.002 Å
• c: 22.618 ± 0.002 Å
• α: 90°
• β: 95.488 ± 0.002°
• γ: 90°
• Cell volume: 7250.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No