Information card for entry 4350829

Structure parameters

• Formula: C16 H18 Co N4 S2
• Calculated formula: C16 H18 Co N4 S2
• Title of publication: Weakening the Interchain Interactions in One Dimensional Cobalt(II) Coordination Polymers by Preventing Intermolecular Hydrogen Bonding
• Authors of publication: Michał Rams; Thomas Lohmiller; Michael Böhme; Aleksej Jochim; Magdalena Foltyn; Alexander Schnegg; Winfried Plass; Christian Näther
• Journal of publication: Inorganic Chemistry
• Year of publication: 2023
• Journal volume: 62
• Journal issue: 26
• Pages of publication: 10420 - 10430
• a: 16.8142 ± 0.0009 Å
• b: 5.6945 ± 0.0002 Å
• c: 18.2861 ± 0.001 Å
• α: 90°
• β: 101.986 ± 0.004°
• γ: 90°
• Cell volume: 1712.69 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1017
• 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: No
• Has Fobs: No