Information card for entry 4124264

Structure parameters

• Formula: C166.5 H111 B7.75 F44.5 Fe4 N53.25 O S0.5
• Calculated formula: C166.5 H111 B7.75 F44.5 Fe4 N53.25 O S0.5
• Title of publication: Post-assembly Modification of Tetrazine-Edged Fe(II)4L6 Tetrahedra.
• Authors of publication: Roberts, Derrick A.; Pilgrim, Ben S.; Cooper, Jonathan D.; Ronson, Tanya K.; Zarra, Salvatore; Nitschke, Jonathan R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 32
• Pages of publication: 10068 - 10071
• a: 20.3453 ± 0.0014 Å
• b: 20.5485 ± 0.0014 Å
• c: 24.4033 ± 0.0017 Å
• α: 93.763 ± 0.003°
• β: 98.158 ± 0.004°
• γ: 100.57 ± 0.003°
• Cell volume: 9883.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1409
• Residual factor for significantly intense reflections: 0.1117
• Weighted residual factors for significantly intense reflections: 0.3063
• Weighted residual factors for all reflections included in the refinement: 0.3314
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No