Information card for entry 4329609

Structure parameters

• Formula: C24 H40 B Cu N7 O2
• Calculated formula: C24 H40.5 B Cu N7 O2
• Title of publication: Hydrotris(triazolyl)borate Complexes as Functional Models for Cu Nitrite Reductase: The Electronic Influence of Distal Nitrogens
• Authors of publication: Mukesh Kumar; Natalie A. Dixon; Anna C. Merkle; Matthias Zeller; Nicolai Lehnert; Elizabeth T. Papish
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7004 - 7006
• a: 9.6746 ± 0.0015 Å
• b: 17.068 ± 0.003 Å
• c: 17.034 ± 0.003 Å
• α: 90°
• β: 99.57 ± 0.003°
• γ: 90°
• Cell volume: 2773.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No