Information card for entry 7016842

Structure parameters

• Formula: C62 H66 Au2 Fe N8 P2 Se2
• Calculated formula: C62 H66 Au2 Fe N8 P2 Se2
• SMILES: C(=N/N=C(C)/c1ncccc1)(/[Se][Au][P](c1ccccc1)(c1ccccc1)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([P]([Au][Se]/C(=N\N=C(C)\c3ncccc3)N3CCC(CC3)C)(c3ccccc3)c3ccccc3)[cH]1[cH]6[cH]7[cH]82)N1CCC(CC1)C
• Title of publication: Synthesis, structures and anti-malaria activity of some gold(i) phosphine complexes containing seleno- and thiosemicarbazonato ligands.
• Authors of publication: Molter, Anja; Rust, Jörg; Lehmann, Christian W.; Deepa, Ganesh; Chiba, Peter; Mohr, Fabian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 38
• Pages of publication: 9810 - 9820
• a: 11.4658 ± 0.0002 Å
• b: 11.476 ± 0.0002 Å
• c: 12.2708 ± 0.0002 Å
• α: 101.554 ± 0.001°
• β: 100.561 ± 0.001°
• γ: 106.828 ± 0.001°
• Cell volume: 1463.18 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No