Information card for entry 7020462

Structure parameters

• Formula: C26 H22 Fe2 N O5 P S2
• Calculated formula: C26 H21 Fe2 N O5 P S2
• Title of publication: Efficient [FeFe] hydrogenase mimic dyads covalently linking to iridium photosensitizer for photocatalytic hydrogen evolution.
• Authors of publication: Cui, Hong-Hua; Hu, Ming-Qiang; Wen, Hui-Min; Chai, Guo-Liang; Ma, Cheng-Bing; Chen, Hui; Chen, Chang-Neng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 45
• Pages of publication: 13899 - 13907
• a: 9.2504 ± 0.0007 Å
• b: 17.5313 ± 0.0013 Å
• c: 16.5973 ± 0.0015 Å
• α: 90°
• β: 102.637 ± 0.005°
• γ: 90°
• Cell volume: 2626.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0633
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No