Information card for entry 1565359

Structure parameters

• Formula: C44 H42 Au Cl N2 O P2
• Calculated formula: C44 H42 Au Cl N2 O P2
• SMILES: [Au]1(Cl)[P](c2c(C=NCC/N=C/c3c([P]1(c1ccccc1)c1ccccc1)cccc3)cccc2)(c1ccccc1)c1ccccc1.C1CCCO1
• Title of publication: Versatile binding modes of acyclic N2X2 (X = O, S and P) ligands towards [GeCl]+ and AuCl units
• Authors of publication: Maurya, Devesh; Karmakar, Joy; Sahoo, Padmini; Raut, Ravindra K.; Majumdar, Moumita
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 503
• Pages of publication: 119380
• a: 9.1114 ± 0.0015 Å
• b: 12.41 ± 0.002 Å
• c: 17.681 ± 0.003 Å
• α: 87.173 ± 0.004°
• β: 83.722 ± 0.005°
• γ: 80.784 ± 0.004°
• Cell volume: 1960.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0364
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No