Information card for entry 7100214

Structure parameters

• Formula: C78 H88 Cl15 N12 O13 Zn3
• Calculated formula: C78 H87 Cl15 N12 O13 Zn3
• Title of publication: Metal-directed ring expansion in Schiff-base polypyrollic macrocycles
• Authors of publication: Jason Love; A. Blake; Gonzalo Givaja; M. Schroder; Claire Wilson
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 12.124 ± 0.002 Å
• b: 14.423 ± 0.002 Å
• c: 27.71 ± 0.004 Å
• α: 87.11 ± 0.002°
• β: 81.228 ± 0.002°
• γ: 80.73 ± 0.002°
• Cell volume: 4724 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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