Information card for entry 7026734

Structure parameters

• Formula: C62 H79 Cl14 Fe9 N6 O39
• Calculated formula: C62 H79 Cl14 Fe9 N6 O39
• Title of publication: Unusual Fe9 and Fe18 structural types from the use of 2,6-pyridinedimethanol in Fe(III) cluster chemistry.
• Authors of publication: Taguchi, Taketo; Thompson, Michael S.; Abboud, Khalil A.; Christou, George
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 38
• Pages of publication: 9131 - 9139
• a: 25.15 ± 0.002 Å
• b: 15.3942 ± 0.0013 Å
• c: 14.1502 ± 0.0012 Å
• α: 90°
• β: 115.89 ± 0.001°
• γ: 90°
• Cell volume: 4928.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No