Information card for entry 4338738

Structure parameters

• Formula: C9 H37 Cl Fe N3 O22 P3 Sm
• Calculated formula: C9 H37 Cl Fe N3 O22 P3 Sm
• Title of publication: Heterometallic 3d-4f Coordination Polymers Based on 1,4,7-Triazacyclononane-1,4,7-triyl-tris(methylenephosphonate).
• Authors of publication: Su, Yan-Hui; Bao, Song Song; Zheng, Li-Min
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 6042 - 6047
• a: 17.49 ± 0.004 Å
• b: 8.8149 ± 0.0018 Å
• c: 19.067 ± 0.004 Å
• α: 90°
• β: 110.601 ± 0.004°
• γ: 90°
• Cell volume: 2751.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No