Information card for entry 4322688

Structure parameters

• Formula: C21 H32 Br N9 Ni2 O2 S3
• Calculated formula: C84 Br4 N36 Ni8 O8 S12
• Title of publication: Dinuclear Nickel(II) Complexes of Phenol-Based "End-Off" Compartmental Ligands and Their Urea Adducts Relevant to the Urease Active Site
• Authors of publication: Takeichiro Koga; Hideki Furutachi; Takako Nakamura; Nobuo Fukita; Masaaki Ohba; Kazuhiro Takahashi; Hisashi Ōkawa
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 989 - 996
• a: 11.709 ± 0.005 Å
• b: 15.1 ± 0.004 Å
• c: 17.548 ± 0.005 Å
• α: 90°
• β: 95.58 ± 0.03°
• γ: 90°
• Cell volume: 3087.9 ± 1.8 ų
• Cell temperature: 20 K
• Ambient diffraction temperature: 20 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 significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.025
• Goodness-of-fit parameter for significantly intense reflections: 1.45
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No