Information card for entry 4323997

Structure parameters

• Common name: Ferrocenyl(eta6-boratabenzol)(eta5-cyclopentadienyl)cobalt-hexafluorophosphat
• Chemical name: Ferrocenyl(eta6-boratabenzol)(eta5-cyclopentadienyl)cobalt-hexafluorophosphat
• Formula: C20 H19 B Co F6 Fe P
• Calculated formula: C20 H19 B Co F6 Fe P
• Title of publication: (1-Ferrocenyl-η6-borabenzene)(η5-cyclopentadienyl)cobalt(1+): A New Heterobimetallic Basic NLO Chromophore,
• Authors of publication: Ute Hagenau; Jürgen Heck; Eric Hendrickx; André Persoons; Thomas Schuld; Hans Wong
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 7863 - 7866
• a: 10.541 ± 0.003 Å
• b: 17.647 ± 0.005 Å
• c: 10.965 ± 0.003 Å
• α: 90°
• β: 96.38 ± 0.02°
• γ: 90°
• Cell volume: 2027 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections: 0.1579
• Weighted residual factors for significantly intense reflections: 0.1397
• Goodness-of-fit parameter for all reflections: 1.115
• Goodness-of-fit parameter for significantly intense reflections: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No