Information card for entry 7000365

Structure parameters

• Formula: C21 H27 Fe3 N2 O20
• Calculated formula: C39 H49 Fe5 N4 O36
• Title of publication: Experimental charge density in an oxidized trinuclear iron complex using 15 K synchrotron and 100 K conventional single-crystal X-ray diffraction
• Authors of publication: Overgaard, Jacob; Larsen, Finn K.; Timco, Grigore A.; Iversen, Bo B.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 4
• Pages of publication: 664
• a: 6.7693 ± 0.0004 Å
• b: 20.1415 ± 0.0011 Å
• c: 11.0653 ± 0.0006 Å
• α: 90°
• β: 92.475 ± 0.002°
• γ: 90°
• Cell volume: 1507.28 ± 0.15 ų
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0146
• Weighted residual factors for all reflections included in the refinement: 0.0257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4871
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No