Information card for entry 4314670

Structure parameters

• Formula: C34 H41 Br4 Fe2 N5 P2
• Calculated formula: C34 H41 Br4 Fe2 N5 P2
• SMILES: Br[Fe](Br)(Br)[Br-].[Fe]12([P](CC[NH2]1)(c1ccccc1)c1ccccc1)([P](CC[NH2]2)(c1ccccc1)c1ccccc1)([N]#CC)[N]#CC.N#CC
• Title of publication: Template Synthesis of Iron(II) Complexes Containing Tridentate P-N-S, P-N-P, P-N-N, and Tetradentate P-N-N-P Ligands
• Authors of publication: Paraskevi O. Lagaditis; Alexandre A. Mikhailine; Alan J. Lough; Robert H. Morris
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1094 - 1102
• a: 15.4373 ± 0.0004 Å
• b: 15.6291 ± 0.0005 Å
• c: 18.2926 ± 0.0004 Å
• α: 90°
• β: 106.272 ± 0.0015°
• γ: 90°
• Cell volume: 4236.7 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0824
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No