Information card for entry 7100656

Structure parameters

• Formula: C66 H94 B2 N8 Ni2 S2
• Calculated formula: C66 H94 B2 N8 Ni2 S2
• Title of publication: Stabilisation of a paramagnetic dinickel borohydride complex by a macrodinucleating hexaaza-dithiophenolate ligand macrocycles
• Authors of publication: Berthold Kersting; Julia Hausmann; Yves Journaux; Vasile Lozan
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 15.992 ± 0.003 Å
• b: 16.08 ± 0.003 Å
• c: 16.515 ± 0.003 Å
• α: 63.82 ± 0.03°
• β: 70.97 ± 0.03°
• γ: 66.47 ± 0.03°
• Cell volume: 3435.8 ± 1.2 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 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: Yes
• Has Fobs: No