Information card for entry 4100019

Structure parameters

• Formula: C22 H17 Fe N3 O
• Calculated formula: C22 H17 Fe N3 O
• Title of publication: Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores
• Authors of publication: Liao, Yi; Kaminsky, Werner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 10.437 ± 0.0005 Å
• b: 18.322 ± 0.001 Å
• c: 11.697 ± 0.0004 Å
• α: 90°
• β: 121.391 ± 0.003°
• γ: 90°
• Cell volume: 1909.38 ± 0.15 ų
• Cell temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No