Information card for entry 4120272

Structure parameters

• Chemical name: [(mu-NO2)(Br)Co(Medoen)Mg(Me3TACN)]PF6
• Formula: C19 H37 Br Co F6 Mg N8 O4 P
• Calculated formula: C19 H37 Br0.8717 Co F6 Mg N8.1283 O4.2566 P
• Title of publication: Selective Nitrite Reduction at Heterobimetallic CoMg Complexes
• Authors of publication: Christopher Uyeda; Jonas C. Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 12023 - 12031
• a: 8.515 ± 0.0002 Å
• b: 13.6712 ± 0.0004 Å
• c: 12.9404 ± 0.0004 Å
• α: 90°
• β: 94.875 ± 0.001°
• γ: 90°
• Cell volume: 1500.95 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 0.607
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No