Information card for entry 7240457

Structure parameters

• Formula: C22 H36 I2 N3 Ni S6
• Calculated formula: C22 H36 I2 N3 Ni S6
• Title of publication: Halogen bonded metal bis(dithiolene) 2D frameworks
• Authors of publication: Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 15.9488 ± 0.0017 Å
• b: 12.5276 ± 0.0012 Å
• c: 16.2505 ± 0.0018 Å
• α: 90°
• β: 92.452 ± 0.006°
• γ: 90°
• Cell volume: 3243.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1443
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No