Information card for entry 4121799

Structure parameters

• Common name: [NMe_4] [L_2 Cu_2 (μ-OH)]
• Formula: C32.76 H27 Cu2 N8.38 O6.62
• Calculated formula: C32.372 H27 Cu2 N8.186 O6.816
• Title of publication: Hydroxo-Bridged Dicopper(II,III) and -(III,III) Complexes: Models for Putative Intermediates in Oxidation Catalysis.
• Authors of publication: Halvagar, Mohammad Reza; Solntsev, Pavlo V.; Lim, Hyeongtaek; Hedman, Britt; Hodgson, Keith O.; Solomon, Edward I.; Cramer, Christopher J.; Tolman, William B.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 20
• Pages of publication: 7269 - 7272
• a: 8.9723 ± 0.0002 Å
• b: 16.1009 ± 0.0004 Å
• c: 11.4418 ± 0.0003 Å
• α: 90°
• β: 105.978 ± 0.002°
• γ: 90°
• Cell volume: 1589.05 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0888
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.195
• Weighted residual factors for all reflections included in the refinement: 0.2107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No