Information card for entry 7005010

Structure parameters

• Formula: C27.9 H49.8 Fe N2 O17.3 P4 S
• Calculated formula: C27.9 H49.8 Fe N2 O17.3 P4 S
• Title of publication: Substitution and derivatization reactions of a water soluble iron(II) complex containing a self-assembled tetradentate phosphine ligand.
• Authors of publication: Burrows, Andrew D.; Dodds, Deborah; Kirk, Andrew S.; Lowe, John P.; Mahon, Mary F.; Warren, John E.; Whittlesey, Michael K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 5
• Pages of publication: 570 - 580
• a: 9.446 ± 0.0002 Å
• b: 16.495 ± 0.0003 Å
• c: 13.462 ± 0.0003 Å
• α: 90°
• β: 90.274 ± 0.001°
• γ: 90°
• Cell volume: 2097.51 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No