Information card for entry 2203343

Structure parameters

• Formula: C22 H20 Cu N6 S2
• Calculated formula: C22 H20 Cu N6 S2
• SMILES: C(=N[Cu]([n]1ccccc1)([n]1ccccc1)(N=C=S)([n]1ccccc1)[n]1ccccc1)=S
• Title of publication: Diisothiocyanatotetrapyridinecopper(II)
• Authors of publication: Gary, John Brannon; Kautz, Jason A.; Klausmeyer, Kevin K.; Wong, Ching-Wah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: m328 - m329
• a: 12.1203 ± 0.0019 Å
• b: 12.868 ± 0.002 Å
• c: 15.502 ± 0.002 Å
• α: 90°
• β: 107.481 ± 0.006°
• γ: 90°
• Cell volume: 2306.1 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0237
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes