Information card for entry 7100162

Structure parameters

• Formula: C28 H42 B Br Fe N6
• Calculated formula: C28 H42 B Br Fe N6
• SMILES: Br[Fe]12=C3N([BH](N4C=1N(C=C4)C(C)(C)C)N1C=2N(C=C1)C(C)(C)C)C=CN3C(C)(C)C.c1(ccccc1)C
• Title of publication: Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton
• Authors of publication: T. C. W. Mak; Xu-Dong Chen
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 18.9117 ± 0.0019 Å
• b: 16.2675 ± 0.0017 Å
• c: 10.125 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3114.9 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No