Information card for entry 7114986

Structure parameters

• Common name: complex3a
• Formula: C27 H22 Au2 N2 P2
• Calculated formula: C27 H22 Au2 N2 P2
• SMILES: C([P]([Au]C#N)(c1ccccc1)c1ccccc1)[P]([Au]C#N)(c1ccccc1)c1ccccc1
• Title of publication: Polymers and rings in gold(i) diphosphine complexes: linking gold rings through aurophilic interactions
• Authors of publication: Brandys, Marie-Claude; Puddephatt, Richard J.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 14
• Pages of publication: 1280
• a: 22.0389 ± 0.001 Å
• b: 7.4488 ± 0.0003 Å
• c: 18.3838 ± 0.0006 Å
• α: 90°
• β: 122.193 ± 0.002°
• γ: 90°
• Cell volume: 2553.96 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No