Information card for entry 7058142

Structure parameters

• Formula: C96 H76 Cl4 Co2 N16 O7
• Calculated formula: C96 H74 Cl4 Co2 N16 O7
• Title of publication: Ligand dechelation effect on a [Co(tpy)2]2+ scaffold towards electro-catalytic proton and water reduction
• Authors of publication: Majee, Karunamay; Padhi, Sumanta Kumar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 9
• Pages of publication: 3856
• a: 8.9073 ± 0.0006 Å
• b: 12.9124 ± 0.0004 Å
• c: 21.2304 ± 0.0006 Å
• α: 94.018 ± 0.003°
• β: 100.907 ± 0.004°
• γ: 100.487 ± 0.004°
• Cell volume: 2343.79 ± 0.19 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.2005
• Weighted residual factors for all reflections included in the refinement: 0.2006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No