Information card for entry 7217123

Structure parameters

• Formula: C28 H44 Cu4 N24 Na O41 P W12
• Calculated formula: C28 H44 Cu4 N24 Na O41 P W12
• Title of publication: Two unusual organic‒inorganic hybrid 3-D frameworks based on Keggin-type heteropoly blue anion-chains, 40-membered macrocycles, and sodium linker units
• Authors of publication: Zhang, He; Yu, Kai; Gao, Song; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Hai-Yan; Zhou, Bai-Bin
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 36
• Pages of publication: 8449
• a: 10.944 ± 0.003 Å
• b: 13.623 ± 0.004 Å
• c: 13.884 ± 0.004 Å
• α: 64.73 ± 0.004°
• β: 73.057 ± 0.005°
• γ: 69.711 ± 0.004°
• Cell volume: 1730.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No