Information card for entry 7105488

Structure parameters

• Formula: C40 H30 F12 Fe N12 O2 P2 S5
• Calculated formula: C40 H30 F12 Fe N12 O2 P2 S5
• Title of publication: Oxygen-independent photonuclease activity of a new iron(ii) complex
• Authors of publication: de Souza, Bernardo; Xavier, Fernando R.; Peralta, Rosely A.; Bortoluzzi, Adailton J.; Conte, Gilmar; Gallardo, Hugo; Fischer, Franciele L.; Bussi, Giselle; Terenzi, Hernán; Neves, Ademir
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 3375 - 3377
• a: 12.097 ± 0.001 Å
• b: 12.39 ± 0.001 Å
• c: 16.561 ± 0.003 Å
• α: 81.74 ± 0.01°
• β: 77.95 ± 0.01°
• γ: 79.67 ± 0.01°
• Cell volume: 2373.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.1381
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No