Information card for entry 4079136

Structure parameters

• Formula: C25 H42 F3 Fe N4 O3 S Si2
• Calculated formula: C25 H42 F3 Fe N4 O3 S Si2
• Title of publication: trans-[Fe(cyclam)(C2R)2]+: A New Family of Iron(III) Bis-Alkynyl Compounds
• Authors of publication: Cao, Zhi; Forrest, William P.; Gao, Yang; Fanwick, Phillip E.; Ren, Tong
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 6199
• a: 12.09 ± 0.0011 Å
• b: 11.6199 ± 0.0011 Å
• c: 24.842 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3489.9 ± 0.6 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.134
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.252
• Weighted residual factors for all reflections included in the refinement: 0.292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No