Information card for entry 7110767

Structure parameters

• Formula: C12 H42 Fe N2 O16 P4 S
• Calculated formula: C12 H42 Fe N2 O16 P4 S
• Title of publication: Self assembly of a novel water soluble iron(ii) macrocyclic phosphine complex from tetrakis(hydroxymethyl)phosphonium sulfate and iron(ii) ammonium sulfate: single crystal X-ray structure of the complex [Fe(H2O)2{RP(CH2N(CH2PR2)CH2)2PR}]SO4·4H2O (R = CH2OH)
• Authors of publication: Jeffery, John C.; Odell, Barbara; Stevens, Nicola; Talbot, Robert E.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 1
• Pages of publication: 101
• a: 12.106 ± 0.004 Å
• b: 14.103 ± 0.006 Å
• c: 15.032 ± 0.004 Å
• α: 90°
• β: 90.68 ± 0.02°
• γ: 90°
• Cell volume: 2566.2 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0362
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for all reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.0756
• Goodness-of-fit parameter for all reflections: 0.946
• Goodness-of-fit parameter for significantly intense reflections: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No