Information card for entry 7037286

Structure parameters

• Formula: C23 H26 Cl F3 Fe N3 O4 P S
• Calculated formula: C23 H26 Cl F3 Fe N3 O4 P S
• Title of publication: Sterically-constrained tripodal phosphorus-bridged tris-pyridyl ligands.
• Authors of publication: Hanf, Schirin; García-Rodríguez, Raúl; Bond, Andrew D.; Hey-Hawkins, Evamarie; Wright, Dominic S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 276 - 283
• a: 13.7879 ± 0.0004 Å
• b: 8.6473 ± 0.0002 Å
• c: 22.5638 ± 0.0006 Å
• α: 90°
• β: 95.0326 ± 0.0012°
• γ: 90°
• Cell volume: 2679.87 ± 0.12 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 9
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No