Information card for entry 7716828

Structure parameters

• Formula: C59 H30.2 N14 Ni S4
• Calculated formula: C44 H15.2 N11 Ni S4
• Title of publication: Structural modification of nickel tetra(thiocyano)corroles during electrochemical water oxidation.
• Authors of publication: Nayak, Panisha; Singh, Ajit Kumar; Nayak, Manisha; Kar, Subhajit; Sahu, Kasturi; Meena, Kiran; Topwal, Dinesh; Indra, Arindam; Kar, Sanjib
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 35
• Pages of publication: 14922 - 14932
• a: 13.5052 ± 0.0003 Å
• b: 16.0286 ± 0.0004 Å
• c: 25.3258 ± 0.0007 Å
• α: 97.682 ± 0.002°
• β: 102.718 ± 0.002°
• γ: 90.036 ± 0.002°
• Cell volume: 5297.2 ± 0.2 ų
• Cell temperature: 100.01 ± 0.11 K
• Ambient diffraction temperature: 100.01 ± 0.11 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: 0.1171
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.1983
• Weighted residual factors for all reflections included in the refinement: 0.2314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No