Information card for entry 2242495

Structure parameters

• Chemical name: <i>trans</i>-Bis[1,2-bis(diphenylphosphane)ethylene]dichloridoiron(III) tetrachloridoferrate(III) dichloromethane 0.59-solvate
• Formula: C52.59 H45.18 Cl7.18 Fe2 P4
• Calculated formula: C52.592 H45.184 Cl7.184 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: 9.7528 ± 0.0007 Å
• b: 23.6871 ± 0.0017 Å
• c: 23.6871 ± 0.0017 Å
• α: 90°
• β: 100.541 ± 0.002°
• γ: 90°
• Cell volume: 5379.7 ± 0.7 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes