Information card for entry 4063042

Structure parameters

• Formula: C67 H56 B2 Cl2 Cr F8 Fe6 N6
• Calculated formula: C67 H56 B2 Cl2 Cr F8 Fe6 N6
• Title of publication: Organometallic Isocyanocyclopentadienides: A Combined Synthetic, Spectroscopic, Structural, Electrochemical, and Theoretical Investigation
• Authors of publication: Thomas H. Holovics; Stephan F. Deplazes; Masaharu Toriyama; Douglas R. Powell; Gerald H. Lushington; Mikhail Barybin
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 19.0172 ± 0.0012 Å
• b: 21.7693 ± 0.0014 Å
• c: 30.9281 ± 0.0019 Å
• α: 90°
• β: 94.422 ± 0.002°
• γ: 90°
• Cell volume: 12765.8 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No