Information card for entry 8100623

Structure parameters

• Formula: C79 H51 Mg2 N19 O2
• Calculated formula: C79 H51 Mg2 N19 O2
• SMILES: [Mg]123([OH2])[N]4=C5N=C6N1C(=NC7=[N]2C(=NC8N3C(N=C4c1c5cccc1)=C1C=CC=CC=81)c1ccccc71)c1ccccc61.n1ccccc1.n1ccccc1
• Title of publication: Crystal structure of aquamagnesiumphthalocyanine pyridine (2/3), 2 (C~32~H~16~N~8~)Mg(H~2~O) · 3C~5~H~5~N
• Authors of publication: Mizuguchi, Jin; Mochizuki, Misato
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 2
• Pages of publication: 244 - 246
• a: 13.586 ± 0.008 Å
• b: 15.64 ± 0.009 Å
• c: 17.667 ± 0.01 Å
• α: 102.96 ± 0.05°
• β: 112.59 ± 0.04°
• γ: 104.01 ± 0.05°
• Cell volume: 3144 ± 3 ų
• Cell temperature: 223.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No