Information card for entry 2243569

Structure parameters

• Common name: Bis[(<i>R</i>,<i>R</i>)-1,2-(binaphthylphosphonito)ethane]dichloridoiron(II) dichloromethane disolvate
• Chemical name: Bis{1,2-bis[12,14-dioxa-13-phosphapentacyclo[13.8.0.0^2,11^.0^3,8^.0^18,23^]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-yl]ethane}dichloridoiron(II) dichloromethane disolvate
• Formula: C86 H60 Cl6 Fe O8 P4
• Calculated formula: C86 H60 Cl6 Fe O8 P4
• Title of publication: Crystal structure of bis[(<i>R</i>,<i>R</i>)-1,2-(binaphthylphosphonito)ethane]dichloridoiron(II) dichloromethane disolvate
• Authors of publication: Rennie, Benjamin E.; Lough, Alan J.; Morris, Robert H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 9
• Pages of publication: 1525 - 1527
• a: 11.985 ± 0.0003 Å
• b: 11.985 ± 0.0003 Å
• c: 52.4508 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7534 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes