Information card for entry 7121576

Structure parameters

• Formula: C72 H60 B3 F15 Fe3 N48
• Calculated formula: C72 H60 B3 F15 Fe3 N48
• Title of publication: A Robust and Unique Iron(II) Mosaic-like MOF Architecture
• Authors of publication: Fernandez-Bartolomé, Estefania; Santos, Jose; Khodabakhshi, Saeed; McCormick, Laura J.; Teat, Simon; Sáenz de Pipaón, Cristina; Galan-Mascaros, Jose; Martín, Nazario; Sanchez Costa, Jose
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 19.9412 ± 0.0009 Å
• b: 19.9412 ± 0.0009 Å
• c: 24.1342 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9597 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.1508
• Residual factor for significantly intense reflections: 0.1301
• Weighted residual factors for significantly intense reflections: 0.4997
• Weighted residual factors for all reflections included in the refinement: 0.5509
• Goodness-of-fit parameter for all reflections included in the refinement: 2.717
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No