Information card for entry 4114148

Structure parameters

• Formula: C26.67 B0.76 Co0.76 Mg0.38 N1.52 O1.52 P2.29
• Calculated formula: C70 B2 Co2 Mg N4 O4 P6
• Title of publication: Dinitrogen Chemistry from Trigonally Coordinated Iron and Cobalt Platforms
• Authors of publication: Theodore A. Betley; Jonas C. Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 10782 - 10783
• a: 22.4373 ± 0.0008 Å
• b: 22.4373 ± 0.0008 Å
• c: 31.7568 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15987.4 ± 1.2 ų
• Cell temperature: 96 ± 2 K
• Ambient diffraction temperature: 96 ± 2 K
• Number of distinct elements: 7
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.2298
• Residual factor for significantly intense reflections: 0.1044
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.591
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No