Information card for entry 7124990

Structure parameters

• Formula: C50 H52 B2 Fe N10 O6
• Calculated formula: C50 H52 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: 8.84673 ± 0.00005 Å
• b: 38.91135 ± 0.00019 Å
• c: 14.15673 ± 0.00007 Å
• α: 90°
• β: 105.312 ± 0.0005°
• γ: 90°
• Cell volume: 4700.3 ± 0.04 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 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: 0.031
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No