Information card for entry 7041978

Structure parameters

• Formula: C20 H33 F6 Fe N2 Ni O P S2
• Calculated formula: C20 H33 F6 Fe N2 Ni O P 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: 12.6068 ± 0.0004 Å
• b: 14.4727 ± 0.0004 Å
• c: 27.5824 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5032.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No