Information card for entry 7124989

Structure parameters

• Formula: C30 H36 B2 Br4 Fe N6 O6
• Calculated formula: C30 H36 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: 26.14 ± 0.004 Å
• b: 8.4019 ± 0.0012 Å
• c: 18.4972 ± 0.0013 Å
• α: 90°
• β: 117.658 ± 0.007°
• γ: 90°
• Cell volume: 3598.3 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No