Information card for entry 7014962

Structure parameters

• Formula: C87.5 H103 Cl3 F6 Fe4 N4 O15 P4 S6
• Calculated formula: C87.5 H103 Cl3 F6 Fe4 N4 O15 P4 S6
• Title of publication: Influences on the rotated structure of diiron dithiolate complexes: electronic asymmetry vs. secondary coordination sphere interaction
• Authors of publication: Liu, Yu-Chiao; Tu, Ling-Kuang; Yen, Tao-Hung; Lee, Gene-Hsiang; Chiang, Ming-Hsi
• Journal of publication: Dalton Transactions
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 11
• Pages of publication: 2528
• a: 16.4839 ± 0.0005 Å
• b: 17.0452 ± 0.0005 Å
• c: 21.2654 ± 0.0004 Å
• α: 94.232 ± 0.0002°
• β: 108.732 ± 0.0014°
• γ: 113.541 ± 0.0011°
• Cell volume: 5045.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1789
• Residual factor for significantly intense reflections: 0.1006
• Weighted residual factors for significantly intense reflections: 0.2871
• Weighted residual factors for all reflections included in the refinement: 0.3409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No