Information card for entry 4322684

Structure parameters

• Formula: C46 H57 B N4 Ni2 O6
• Calculated formula: C92 B2 N8 Ni4 O12
• 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: 13.613 ± 0.003 Å
• b: 16.475 ± 0.004 Å
• c: 11.307 ± 0.004 Å
• α: 99.9 ± 0.02°
• β: 104.16 ± 0.02°
• γ: 109.01 ± 0.02°
• Cell volume: 2235.4 ± 1.2 ų
• Cell temperature: 20 K
• Ambient diffraction temperature: 20 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for significantly intense reflections: 3.08
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No