Information card for entry 4061357

Structure parameters

• Formula: C44 H40 Cl4 N6 Ni
• Calculated formula: C44 H40 Cl4 N6 Ni
• SMILES: c1cccc2c1c(CN1C(=[Ni](C#N)(=C3N(C=CN3CC)Cc3c4ccccc4cc4ccccc34)C#N)N(C=C1)CC)c1c(c2)cccc1.C(Cl)Cl.C(Cl)Cl
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 10.938 ± 0.004 Å
• b: 8.364 ± 0.003 Å
• c: 22.721 ± 0.008 Å
• α: 90°
• β: 95.648 ± 0.007°
• γ: 90°
• Cell volume: 2068.7 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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