Information card for entry 7100030

Structure parameters

• Formula: C38 H41 Br2 Cl2 I N4 Ni Zn
• Calculated formula: C38 H41 Br2 Cl2 I N4 Ni Zn
• SMILES: I[Ni]1([N](=C(C)C2C1=[N]([Zn](Br)(Br)[N]=2c1c(cccc1C)C)c1c(cccc1C)C)c1c(cccc1C)C)C#[N]c1c(cccc1C)C.ClCCl
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 15.091 ± 0.002 Å
• b: 11.585 ± 0.002 Å
• c: 22.938 ± 0.004 Å
• α: 90°
• β: 97.1574 ± 0.0008°
• γ: 90°
• Cell volume: 3979.1 ± 1.1 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No