Information card for entry 4318311

Structure parameters

• Formula: C82 H148 Fe2 N12 O1.5
• Calculated formula: C81.997 H148 Fe2 N12 O1.5
• Title of publication: Synthesis and Characterization of Iron Complexes with Monoanionic and Dianionic N,N',N''-Trialkylguanidinate Ligands
• Authors of publication: Stephen R. Foley; Glenn P. A. Yap; Darrin S. Richeson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4149 - 4157
• a: 14.283 ± 0.001 Å
• b: 14.437 ± 0.001 Å
• c: 23.517 ± 0.002 Å
• α: 86.821 ± 0.002°
• β: 72.475 ± 0.002°
• γ: 63.664 ± 0.001°
• Cell volume: 4126.9 ± 0.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No