Information card for entry 7211369

Structure parameters

• Formula: C42 H54 Mo12 N12 O39
• Calculated formula: C42 H54 Mo12 N12 O39
• Title of publication: An unprecedented ι-type octamolybdate: [TbI1]2[(β-Mo8O26)0.5(ι-Mo8O26)] directed by a new tricationic template
• Authors of publication: Yue, Zhong-Cheng; Du, Hai-Juan; Niu, Yun-Yin; Jin, Guo-Xin
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 46
• Pages of publication: 9844
• a: 19.563 ± 0.006 Å
• b: 18.755 ± 0.005 Å
• c: 20.674 ± 0.006 Å
• α: 90°
• β: 113.675 ± 0.016°
• γ: 90°
• Cell volume: 6947 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No