Information card for entry 4322589

Structure parameters

• Formula: C82 H64 Co F18 N6 O7 P2 S3
• Calculated formula: C82 H64 Co F30 N6 O7 P2 S3
• 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: 13.782 ± 0.005 Å
• b: 26.12 ± 0.007 Å
• c: 13.756 ± 0.004 Å
• α: 100.48 ± 0.03°
• β: 119.64 ± 0.02°
• γ: 94.33 ± 0.03°
• Cell volume: 4152 ± 3 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: 0.0789
• Weighted residual factors for significantly intense reflections: 0.0829
• Goodness-of-fit parameter for significantly intense reflections: 2.652
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No