Information card for entry 4100200

Structure parameters

• Formula: C40 H52 Br2 N4 Ni
• Calculated formula: C40 H52 Br2 N4 Ni
• SMILES: Br[Ni]12(Br)([NH]([C@@H]3CCCC[C@H]3[NH]2Cc2ccccc2)Cc2ccccc2)[NH]([C@@H]2CCCC[C@H]2[NH]1Cc1ccccc1)Cc1ccccc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 31.635 ± 0.003 Å
• b: 7.6556 ± 0.0007 Å
• c: 22.102 ± 0.002 Å
• α: 90°
• β: 133.882 ± 0.001°
• γ: 90°
• Cell volume: 3858.1 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No