Information card for entry 7005535

Structure parameters

• Formula: C6 H21 As7 Fe6 N2 O31
• Calculated formula: C6 H21 As7 Fe6 N2 O31
• Title of publication: Iron arsenate frameworks.
• Authors of publication: Wiggin, Seth B.; Hughes, Robert W.; Price, Daniel J.; Weller, Mark T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 27
• Pages of publication: 2935 - 2941
• a: 6.6364 ± 0.0003 Å
• b: 10.8179 ± 0.0004 Å
• c: 12.2213 ± 0.0005 Å
• α: 109.927 ± 0.002°
• β: 100.807 ± 0.002°
• γ: 101.32 ± 0.002°
• Cell volume: 777.4 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0464
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No