Information card for entry 4302027

Structure parameters

• Formula: C62 H60 Au2 Cl2 N2 O16 P4
• Calculated formula: C62 H60 Au2 Cl2 N2 O16 P4
• SMILES: c1(ccccc1OC)O[P](N([P](Oc1ccccc1OC)Oc1ccccc1OC)c1ccc(N([P](Oc2ccccc2OC)(Oc2ccccc2OC)[Au]Cl)[P](Oc2ccccc2OC)Oc2ccccc2OC)cc1)(Oc1ccccc1OC)[Au]Cl
• Title of publication: Group 11 Metal Chemistry of a Tetradentate Ligand, Phenylene-1,4-diaminotetra(phosphonite), p-C6H4[N{P(OC6H4OMe-o)2}2]2
• Authors of publication: Chelladurai Ganesamoorthy; Maravanji S. Balakrishna; Joel T. Mague
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3768 - 3782
• a: 11.933 ± 0.005 Å
• b: 15.241 ± 0.006 Å
• c: 17.673 ± 0.007 Å
• α: 90°
• β: 107.117 ± 0.007°
• γ: 90°
• Cell volume: 3072 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No