Information card for entry 7104452

Structure parameters

• Formula: C21 H18 Fe1.5 Gd N3 O16.5
• Calculated formula: C21 H9 Fe1.5 Gd N3 O16.5
• 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: 15.291 ± 0.004 Å
• b: 15.291 ± 0.004 Å
• c: 15.573 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3153.4 ± 1.7 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: 0.0643
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No