Information card for entry 4088109

Structure parameters

• Formula: C62 H66 Au2 N2
• Calculated formula: C62 H66 Au2 N2
• SMILES: [Au]12(c3cc(C(C)(C)C)ccc3c3[n]1c(ccc3)c1c2cc(cc1)C(C)(C)C)[Au]12c3c(c4[n]1c(c1c2cc(cc1)C(C)(C)C)ccc4)ccc(c3)C(C)(C)C.c1ccccc1.c1ccccc1
• Title of publication: Photochemical Disproportionation of an AuIIPincer Complex: Synthesis and Structure of an AuI4AuIII4Macrocycle
• Authors of publication: Roşca, Dragoş-Adrian; Bochmann, Manfred
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 35
• Journal issue: 1
• Pages of publication: 27
• a: 12.609 ± 0.002 Å
• b: 26.9775 ± 0.0015 Å
• c: 17.476 ± 0.002 Å
• α: 90°
• β: 121.135 ± 0.008°
• γ: 90°
• Cell volume: 5088.3 ± 1.1 ų
• Cell temperature: 138 ± 2 K
• Ambient diffraction temperature: 138 ± 2 K
• Number of distinct elements: 4
• 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: 0.0417
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No