Information card for entry 4100022

Structure parameters

• Formula: C34 H22 Cl2 F3 Fe N3 O S
• Calculated formula: C34 H22 Cl2 F3 Fe N3 O S
• Title of publication: Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores
• Authors of publication: Liao, Yi; Robinson, Bruce; Kaminsky, Werner; Benedict, Jason
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 28.041 ± 0.0011 Å
• b: 15.294 ± 0.0009 Å
• c: 19.322 ± 0.0009 Å
• α: 90°
• β: 131.96 ± 0.003°
• γ: 90°
• Cell volume: 6161.9 ± 0.5 ų
• Cell temperature: 130 ± 2 K
• Number of distinct elements: 8
• 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