Information card for entry 7044921

Structure parameters

• Formula: C114 H100 B2 Cl4 Cu4 F8 N10 P8
• Calculated formula: C114 H100 B2 Cl4 Cu4 F8 N10 P8
• 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: 15.264 ± 0.002 Å
• b: 22.97 ± 0.003 Å
• c: 17.299 ± 0.003 Å
• α: 90°
• β: 113.43 ± 0.01°
• γ: 90°
• Cell volume: 5565.2 ± 1.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No