Information card for entry 4322588

Structure parameters

• Formula: C92 H70 Co F24 N8 O9 P2 S4
• Calculated formula: C92 H70 Co F42 N8 O9 P2 S4
• Title of publication: Novel Rubredoxin Model Tetrathiolato Iron(II) and Cobalt(II) Complexes Containing Intramolecular Single and Double NH...S Hydrogen Bonds
• Authors of publication: Taka-aki Okamura; Satoshi Takamizawa; Norikazu Ueyama; Akira Nakamura
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 18 - 28
• a: 13.502 ± 0.003 Å
• b: 28.031 ± 0.005 Å
• c: 13.464 ± 0.003 Å
• α: 90.62 ± 0.02°
• β: 105.73 ± 0.02°
• γ: 96 ± 0.02°
• Cell volume: 4874 ± 1.8 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.0826
• Goodness-of-fit parameter for significantly intense reflections: 2.756
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No