Information card for entry 7104453

Structure parameters

• Formula: C21 H18 Fe1.5 N3 O16.5 Tb
• Calculated formula: C21 H9 Fe1.5 N3 O16.5 Tb
• Title of publication: A porous 3D heterometal-organic framework containing both lanthanide and high-spin Fe(ii) ions.
• Authors of publication: Zhao, Bin; Chen, Xiao-Yan; Chen, Zhi; Shi, Wei; Cheng, Peng; Yan, Shi-Ping; Liao, Dai-Zheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 21
• Pages of publication: 3113 - 3115
• a: 15.199 ± 0.002 Å
• b: 15.199 ± 0.002 Å
• c: 15.589 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3118.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 192
• Hermann-Mauguin space group symbol: P 6/m c c
• Hall space group symbol: -P 6 2c
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No