Information card for entry 4340070

Structure parameters

• Formula: C26 H38 Br2 Fe P2
• Calculated formula: C26 H38 Br2 Fe P2
• SMILES: C1=Cc2c([P]([Fe](Br)([P](c3c1cccc3)(C(C)C)C(C)C)Br)(C(C)C)C(C)C)cccc2
• Title of publication: Coordination of a Hemilabile Pincer Ligand with an Olefinic Backbone to Mid-to-Late Transition Metals.
• Authors of publication: Barrett, Brittany J.; Iluc, Vlad M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7248 - 7259
• a: 15.9893 ± 0.0019 Å
• b: 11.1028 ± 0.0013 Å
• c: 16.3823 ± 0.0019 Å
• α: 90°
• β: 107.936 ± 0.002°
• γ: 90°
• Cell volume: 2766.9 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No