Information card for entry 7100644

Structure parameters

• Formula: C31 H19 Cl3 Ni O4 S2
• Calculated formula: C31 H19 Cl3 Ni O4 S2
• SMILES: [Ni]12([S]=C3C(=C(Oc4c3cccc4)c3ccccc3)O2)[S]=C2c3c(cccc3)OC(=C2O1)c1ccccc1.ClC(Cl)Cl
• Authors of publication: B.L. Tran; Seth M. Cohen
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 7.6947 ± 0.0018 Å
• b: 39.596 ± 0.009 Å
• c: 9.965 ± 0.002 Å
• α: 90°
• β: 112.643 ± 0.003°
• γ: 90°
• Cell volume: 2801.9 ± 1.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No