Information card for entry 1573952

Structure parameters

• Formula: C14 H14 Co N4 O2 S2
• Calculated formula: C14 H14 Co N4 O2 S2
• Title of publication: Single-Chain Magnet Based on Cobalt(II) Thiocyanate as XXZ Spin Chain
• Authors of publication: Michał Rams; Aleksej Jochim; Michael Böhme; Thomas Lohmiller; Magdalena Ceglarska; Marek M. Rams; Alexander Schnegg; Winfried Plass; Christian Näther
• Journal of publication: Chemistry - A European Journal
• Year of publication: 2020
• Journal volume: 26
• Journal issue: 13
• Pages of publication: 2837 - 2851
• a: 8.9702 ± 0.0005 Å
• b: 10.4183 ± 0.0007 Å
• c: 10.8645 ± 0.0007 Å
• α: 66.2 ± 0.005°
• β: 67.928 ± 0.005°
• γ: 82.794 ± 0.005°
• Cell volume: 860.49 ± 0.1 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 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: 0.0509
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No