Information card for entry 7041976

Structure parameters

• Formula: C15.38 H23.75 B Cl0.75 Co F4 Fe N3 O2 S2
• Calculated formula: C15.377 H23.754 B Cl0.754 Co F4 Fe N3 O2 S2
• Title of publication: Complexes of MN2S2·Fe(η(5)-C5R5)(CO) as platform for exploring cooperative heterobimetallic effects in HER electrocatalysis.
• Authors of publication: Ghosh, Pokhraj; Quiroz, Manuel; Wang, Ning; Bhuvanesh, Nattamai; Darensbourg, Marcetta Y.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 5617 - 5624
• a: 24.029 ± 0.004 Å
• b: 29.365 ± 0.005 Å
• c: 12.6042 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8894 ± 2 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 10
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No