Information card for entry 4100149

Structure parameters

• Formula: C74 H106 Mg2 N6 O2
• Calculated formula: C74 H106 Mg2 N6 O2
• SMILES: [Mg]12([O]3CC[O]([Mg]45(N(C(=C6[N]4(C(=CC=C6)C(=[N]5c4c(cccc4C(C)C)C(C)C)C)C)C)c4c(cccc4C(C)C)C(C)C)C)CC3)(N(C(=C3[N]1(C(=CC=C3)C(=[N]2c1c(cccc1C(C)C)C(C)C)C)C)C)c1c(cccc1C(C)C)C(C)C)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 28.4817 ± 0.0006 Å
• b: 13.1962 ± 0.0003 Å
• c: 18.012 ± 0.0002 Å
• α: 90°
• β: 90.642 ± 0.001°
• γ: 90°
• Cell volume: 6769.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No