Information card for entry 7044421

Structure parameters

• Formula: C34 H40 Au Cl N6 O
• Calculated formula: C34 H40 Au Cl N6 O
• SMILES: [Au](Cl)=C1N(C=CN1C)c1cc(cc2C(c3cc(cc(C(n4cccn4)n4nccc4)c3Oc12)C(C)(C)C)(C)C)C(C)(C)C
• Title of publication: Highly Versatile Heteroditopic Ligand Scaffolds for Accommodating Group 8, 9 & 11 Heterobimetallic Complexes
• Authors of publication: Gatus, Mark; Bhadbhade, Mohan; Messerle, Barbara A.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.9529 ± 0.0009 Å
• b: 12.3931 ± 0.0011 Å
• c: 30.588 ± 0.003 Å
• α: 90°
• β: 95.433 ± 0.004°
• γ: 90°
• Cell volume: 3756 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No