Information card for entry 2242496

Structure parameters

• Chemical name: <i>trans</i>-Bis[1,2-bis(diphenylphosphane)benzene]dichloridoiron(III) tetrachloridoferrate(III) dichloromethane monosolvate
• Formula: C61 H50 Cl8 Fe2 P4
• Calculated formula: C61 H50 Cl8 Fe2 P4
• Title of publication: Crystal structures of two new six-coordinate iron(III) complexes with 1,2-bis(diphenylphosphane) ligands
• Authors of publication: McNeil, Jr, Derek L.; Beckford, Daihlia J.; Kneebone, Jared L.; Carpenter, Stephanie H.; Brennessel, William W.; Neidig, Michael L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 6
• Pages of publication: 803 - 807
• a: 9.8771 ± 0.0007 Å
• b: 12.6516 ± 0.0008 Å
• c: 12.8258 ± 0.0008 Å
• α: 81.058 ± 0.001°
• β: 83.05 ± 0.001°
• γ: 68.335 ± 0.001°
• Cell volume: 1467.87 ± 0.17 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1465
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes