Information card for entry 4000264

Structure parameters

• Formula: C8 H18 Fe3 N3 O20 P3
• Calculated formula: C8 H10 Fe3 N3 O20 P3
• Journal of publication: Chemistry of Materials
• Year of publication: 2003
• a: 9.6367 ± 0.0007 Å
• b: 10.176 ± 0.0007 Å
• c: 12.6164 ± 0.0009 Å
• α: 86.302 ± 0.001°
• β: 68.88 ± 0.001°
• γ: 61.8 ± 0.001°
• Cell volume: 1008.66 ± 0.12 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No