Information card for entry 2312548

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[4-bromo-2-((<i>Z</i>)-{[2-(thiophen-2-yl)ethyl]imino}methyl)phenolato-κ^2^<i>N</i>,<i>O</i>]cobalt(III)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]
• Formula: C27 H22 Br2 Co N3 O2 S3
• Calculated formula: C27 H22 Br2 Co N3 O2 S3
• Title of publication: A novel one-dimensional thiocyanate-bridged cobalt(III) complex: synthesis, crystal structure characterization and Hirshfeld surface analysis.
• Authors of publication: Mandal, Uttam; Rizzoli, Corrado; Chakraborty, Bikash; Bandyopadhyay, Debasis; Mandal, Santanu
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 8
• a: 16.5337 ± 0.0009 Å
• b: 13.2578 ± 0.0007 Å
• c: 13.4575 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2949.9 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes