Information card for entry 7711739

Structure parameters

• Formula: C50 H38 Co N2 O2 Se4
• Calculated formula: C50 H38 Co N2 O2 Se4
• Title of publication: Synthesis of cobalt(II) phenolate selenoether complexes to mimic hydrogenase-like activity for hydrogen gas production.
• Authors of publication: Upadhyay, Aditya; Kanika, ?; Mandhar, Yogesh; Batabyal, Monojit; Raju, Saravanan; Jaiswal, Svastik; Butcher, Ray J.; Kumar, Sangit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 159 - 174
• a: 20.844 ± 0.002 Å
• b: 10.6346 ± 0.001 Å
• c: 19.7043 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4367.8 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No