Information card for entry 7124992

Structure parameters

• Chemical name: gc_ba1508
• Formula: C24 H24 B2 Br4 Fe N6 O6
• Calculated formula: C24 H24 B2 Br4 Fe N6 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: 14.7088 ± 0.0004 Å
• b: 12.8848 ± 0.0003 Å
• c: 18.6454 ± 0.0006 Å
• α: 90°
• β: 102.859 ± 0.003°
• γ: 90°
• Cell volume: 3445.05 ± 0.17 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 7
• 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: 0.0439
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No