Information card for entry 7049349

Structure parameters

• Formula: C34 H34 B2 Fe N6 O6
• Calculated formula: C34 H34 B2 Fe N6 O6
• Title of publication: Porous networks based on iron(ii) clathrochelate complexes.
• Authors of publication: Bila, José L; Pijeat, Joffrey; Ramorini, Andrea; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Baudat, Emilie; Severin, Kay
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 14
• Pages of publication: 4582 - 4588
• a: 30.5087 ± 0.0008 Å
• b: 9.8259 ± 0.0002 Å
• c: 46.0071 ± 0.0017 Å
• α: 90°
• β: 97.269 ± 0.003°
• γ: 90°
• Cell volume: 13681 ± 0.7 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1281
• Residual factor for significantly intense reflections: 0.117
• Weighted residual factors for significantly intense reflections: 0.3284
• Weighted residual factors for all reflections included in the refinement: 0.3377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No