Information card for entry 4113385

Structure parameters

• Formula: C14 H28 F6 Fe2 N O3 P3 S2
• Calculated formula: C14 H22 F6 Fe2 N O3 P3 S2
• Title of publication: Activation of Alkenes and H2 by [Fe]-H2ase Model Complexes
• Authors of publication: Xuan Zhao; Chao-Yi Chiang; Matthew L. Miller; Marilyn V. Rampersad; Marcetta Y. Darensbourg
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 518 - 524
• a: 17.516 ± 0.004 Å
• b: 28.565 ± 0.006 Å
• c: 10.116 ± 0.002 Å
• α: 90°
• β: 90.112 ± 0.004°
• γ: 90°
• Cell volume: 5061.5 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2285
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1782
• Weighted residual factors for all reflections included in the refinement: 0.2816
• Goodness-of-fit parameter for all reflections included in the refinement: 0.688
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No