Information card for entry 7038293

Structure parameters

• Formula: C67 H57 Cl2 Cu N4 O5 P2
• Calculated formula: C67 H57 Cl2 Cu N4 O5 P2
• Title of publication: Neutral, heteroleptic copper(i)-4H-imidazolate complexes: synthesis and characterization of their structural, spectral and redox properties.
• Authors of publication: Schulz, M.; Dröge, F; Herrmann-Westendorf, F; Schindler, J.; Görls, H; Presselt, M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4835 - 4842
• a: 12.2239 ± 0.0002 Å
• b: 16.2189 ± 0.0003 Å
• c: 16.5242 ± 0.0003 Å
• α: 63.069 ± 0.001°
• β: 85.486 ± 0.001°
• γ: 85.35 ± 0.001°
• Cell volume: 2907.91 ± 0.09 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No