Information card for entry 7250525

Structure parameters

• Formula: C64 H78 Co2 N4 O9
• Calculated formula: C64 H78 Co2 N4 O9
• Title of publication: Elucidating substituent effects in magnetic properties of redox active cobalt complexes and testing them as potential catalysts for HER
• Authors of publication: Sundaresan, Sriram; Müller, Julia; Carrella, Luca M.; Rentschler, Eva
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 24
• Pages of publication: 19287 - 19294
• a: 11.0407 ± 0.0006 Å
• b: 11.0875 ± 0.0006 Å
• c: 24.7624 ± 0.0015 Å
• α: 92.046 ± 0.005°
• β: 99.904 ± 0.005°
• γ: 102.261 ± 0.004°
• Cell volume: 2909.7 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No