Information card for entry 7037396

Structure parameters

• Formula: C34.38 H31.75 Cl0.75 Fe N O P2 S2
• Calculated formula: C34.375 H31.75 Cl0.75 Fe N O P2 S2
• Title of publication: Highly functionalizable penta-coordinate iron hydrogen production catalysts with low overpotentials.
• Authors of publication: Eady, Shawn C.; Breault, Tanya; Thompson, Levi; Lehnert, Nicolai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 1138 - 1151
• a: 19.0419 ± 0.0013 Å
• b: 25.0831 ± 0.0005 Å
• c: 16.039 ± 0.0003 Å
• α: 90°
• β: 113.223 ± 0.008°
• γ: 90°
• Cell volume: 7040 ± 0.7 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 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: 0.1103
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.2589
• Weighted residual factors for all reflections included in the refinement: 0.2815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No