Information card for entry 7044917

Structure parameters

• Formula: C86 H69 Cl4 Cu2 F6 N10 O2 P5
• Calculated formula: C86 H69 Cl4 Cu2 F6 N10 O2 P5
• Title of publication: The coordination- and photochemistry of copper(i) complexes: variation of N^N ligands from imidazole to tetrazole.
• Authors of publication: Bergmann, Larissa; Braun, Carolin; Nieger, Martin; Bräse, Stefan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 2
• Pages of publication: 608 - 621
• a: 12.294 ± 0.001 Å
• b: 13.17 ± 0.001 Å
• c: 14.471 ± 0.001 Å
• α: 71 ± 0.01°
• β: 85.67 ± 0.01°
• γ: 69.54 ± 0.01°
• Cell volume: 2073.7 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No