Information card for entry 7124993

Structure parameters

• Chemical name: gc2_203
• Formula: C44 H40 B2 Fe N10 O6
• Calculated formula: C44 H40 B2 Fe N10 O6
• Title of publication: Large heterometallic coordination cages with gyrobifastigium-like geometry.
• Authors of publication: Cecot, Giacomo; Alameddine, Bassam; Prior, Stéphanie; Zorzi, Rita De; Geremia, Silvano; Scopelliti, Rosario; Fadaei, Farzaneh T.; Solari, Euro; Severin, Kay
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 75
• Pages of publication: 11243 - 11246
• a: 9.4866 ± 0.0004 Å
• b: 10.6979 ± 0.0003 Å
• c: 47.959 ± 0.002 Å
• α: 90°
• β: 94.425 ± 0.005°
• γ: 90°
• Cell volume: 4852.7 ± 0.3 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.1791
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No