Information card for entry 4300394

Structure parameters

• Formula: C18 H15 Cl Cu N4 S
• Calculated formula: C18 H15 Cl Cu N4 S
• SMILES: [Cu]12(N(c3c([N]2=Nc2[n]1cccc2)cccc3)c1ccccc1SC)Cl
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• a: 27.2036 ± 0.0011 Å
• b: 9.0209 ± 0.0004 Å
• c: 15.4178 ± 0.0006 Å
• α: 90°
• β: 112.212 ± 0.001°
• γ: 90°
• Cell volume: 3502.8 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No