Information card for entry 7026733

Structure parameters

• Formula: C112 H145 Cl10 Fe18 N21 O89
• Calculated formula: C112 H139 Cl10 Fe18 N21 O89
• 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: 26.3129 ± 0.0017 Å
• b: 13.9984 ± 0.0009 Å
• c: 27.308 ± 0.0018 Å
• α: 90°
• β: 116.922 ± 0.001°
• γ: 90°
• Cell volume: 8968.5 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.156
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.2196
• Weighted residual factors for all reflections included in the refinement: 0.2484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No