Information card for entry 7205217

Structure parameters

• Formula: C48 H40 Mo6 N16 Ni2 O19
• Calculated formula: C48 H40 Mo6 N16 Ni2 O19
• Title of publication: Synthesis and characterization of two {Mo6}-based/templated metal‒organic frameworks
• Authors of publication: Yang, Guang-Sheng; Zang, Hong-Ying; Lan, Ya-Qian; Wang, Xin-Long; Jiang, Chun-Jie; Su, Zhong-Min; Zhu, Lian-De
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1461
• a: 12.159 ± 0.004 Å
• b: 12.159 ± 0.004 Å
• c: 20.852 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3082.8 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.1238
• Residual factor for significantly intense reflections: 0.1067
• Weighted residual factors for significantly intense reflections: 0.275
• Weighted residual factors for all reflections included in the refinement: 0.297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No