Information card for entry 7707538

Structure parameters

• Formula: C48 H36 N2 O4 P2 Zn
• Calculated formula: C48 H36 N2 O4 P2 Zn
• SMILES: [Zn]12([n]3ccccc3c3[n]1cccc3)(OC(=O)c1ccc(P(c3ccccc3)c3ccccc3)cc1)OC(=[O]2)c1ccc(P(c2ccccc2)c2ccccc2)cc1
• Title of publication: Nonanuclear zinc-gold [Zn₃Au₆] heterobimetallic complexes.
• Authors of publication: Yadav, Ravi; Dahlen, Milena; Singh, Akhil K.; Sun, Xiaofei; Gamer, Michael T.; Roesky, Peter W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 24
• Pages of publication: 8558 - 8566
• a: 10.3183 ± 0.0005 Å
• b: 14.3647 ± 0.0008 Å
• c: 15.5865 ± 0.0008 Å
• α: 110.168 ± 0.004°
• β: 101.993 ± 0.004°
• γ: 103.328 ± 0.004°
• Cell volume: 2003.1 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No