Information card for entry 4339749

Structure parameters

• Formula: C47 H39 Cl3 N4 Ni O7
• Calculated formula: C47 H39 Cl3 N4 Ni O7
• Title of publication: Acireductone dioxygenase- (ARD-) type reactivity of a nickel(II) complex having monoanionic coordination of a model substrate: product identification and comparisons to unreactive analogues.
• Authors of publication: Szajna-Fuller, Ewa; Rudzka, Katarzyna; Arif, Atta M.; Berreau, Lisa M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 5499 - 5507
• a: 11.2375 ± 0.0004 Å
• b: 13.4086 ± 0.0005 Å
• c: 16.0769 ± 0.0006 Å
• α: 107.462 ± 0.0018°
• β: 102.107 ± 0.002°
• γ: 103.424 ± 0.003°
• Cell volume: 2143.36 ± 0.15 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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 all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No