Information card for entry 4322586

Structure parameters

• Formula: C66 H106 Fe N8 O4 S4
• Calculated formula: C78 H132 Fe N8 O4 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: 14.477 ± 0.005 Å
• b: 14.4767 Å
• c: 35.221 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7382 ± 3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.0757
• Goodness-of-fit parameter for significantly intense reflections: 2.769
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No