Information card for entry 7042010

Structure parameters

• Chemical name: TDDA-20
• Formula: C32 H58 Au2 F12 N8 O5 P2
• Calculated formula: C32 H58 Au2 F12 N8 O5 P2
• Title of publication: Synthesis of hydroxyl-functionalized N-heterocyclic carbene gold(i) complexes and peptide conjugates.
• Authors of publication: Diehl, Tobias; Krause, Melanie T. S.; Ueberlein, Sven; Becker, Stefanie; Trommer, Aline; Schnakenburg, Gregor; Engeser, Marianne
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 2988 - 2997
• a: 9.7388 ± 0.0009 Å
• b: 11.225 ± 0.0011 Å
• c: 11.2485 ± 0.0008 Å
• α: 74.396 ± 0.005°
• β: 77.892 ± 0.005°
• γ: 79.474 ± 0.004°
• Cell volume: 1147.54 ± 0.18 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0791
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No