Information card for entry 4120273

Structure parameters

• Chemical name: [(NO)(Cl)Co(Medoen)Mg(Me3TACN)(H2O)]BPh4
• Formula: C47 H67 B Cl Co Mg N8 O5
• Calculated formula: C47 H66.064 B Cl Co Mg N8 O5
• 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: 31.695 ± 0.003 Å
• b: 11.5842 ± 0.0012 Å
• c: 30.376 ± 0.004 Å
• α: 90°
• β: 120.603 ± 0.004°
• γ: 90°
• Cell volume: 9599.5 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0988
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No