Information card for entry 7100642

Structure parameters

• Formula: C31 H20 Cl2 O4 S2 Zn
• Calculated formula: C31 H20 Cl2 O4 S2 Zn
• SMILES: ClCCl.O1[Zn]2([S]=C3C1=C(Oc1c3cccc1)c1ccccc1)[S]=C1c3c(OC(=C1O2)c1ccccc1)cccc3
• Authors of publication: B.L. Tran; Seth M. Cohen
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 9.6538 ± 0.0005 Å
• b: 10.6359 ± 0.0006 Å
• c: 13.9037 ± 0.0008 Å
• α: 92.079 ± 0.001°
• β: 98.582 ± 0.001°
• γ: 105.648 ± 0.001°
• Cell volume: 1354.89 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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