Information card for entry 4100020

Structure parameters

• Formula: C30 H25 Cl4 Fe N3 O S
• Calculated formula: C30 H25 Cl4 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: 10.003 ± 0.0003 Å
• b: 11.271 ± 0.0003 Å
• c: 14.935 ± 0.0005 Å
• α: 70.166 ± 0.0013°
• β: 89.948 ± 0.0013°
• γ: 76.818 ± 0.0019°
• Cell volume: 1536.82 ± 0.08 ų
• Cell temperature: 130 ± 2 K
• Number of distinct elements: 7
• 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