Information card for entry 7711740

Structure parameters

• Formula: C203 H131.53 Cl6 Co4 N20 O16.76 Se16
• Calculated formula: C203 H131.528 Cl6 Co4 N20 O16.764 Se16
• 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: 12.9661 ± 0.0013 Å
• b: 17.2755 ± 0.0018 Å
• c: 21.367 ± 0.002 Å
• α: 93.261 ± 0.004°
• β: 94.806 ± 0.004°
• γ: 90.356 ± 0.004°
• Cell volume: 4761.3 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No