Information card for entry 7101018

Structure parameters

• Formula: C14 H23 Cl N6 S2 Zn
• Calculated formula: C14 H23 Cl N6 S2 Zn
• SMILES: [Zn]123(Cl)SC(=[NH+][N]1=C(C(=[N]2N=C(S3)N1CCCC1)C)C)N1CCCC1
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 7.8934 ± 0.0003 Å
• b: 8.5558 ± 0.0003 Å
• c: 14.1976 ± 0.0005 Å
• α: 74.579 ± 0.0015°
• β: 87.2903 ± 0.0016°
• γ: 85.2071 ± 0.0019°
• Cell volume: 920.76 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No