Information card for entry 7127589

Structure parameters

• Formula: C73 H79 Au N4 P2
• Calculated formula: C73 H79 Au N4 P2
• SMILES: [Au]([P](=P(c1c(c2c(cc(cc2C)C)C)cccc1c1c(cc(cc1C)C)C)=C1N(C(=C(N1C)C)C)C)c1c(c2c(cc(cc2C)C)C)cccc1c1c(cc(cc1C)C)C)N(Nc1ccccc1)c1ccccc1.c1ccccc1
• Title of publication: Reactivity of NHC/diphosphene-coordinated Au(I)-hydride.
• Authors of publication: Dhara, Debabrata; Scheschkewitz, David; Chandrasekhar, Vadapalli; Yildiz, Cem B.; Jana, Anukul
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 809 - 812
• a: 11.8644 ± 0.0002 Å
• b: 21.3145 ± 0.0004 Å
• c: 26.4459 ± 0.0006 Å
• α: 80.844 ± 0.002°
• β: 81.813 ± 0.002°
• γ: 86.997 ± 0.002°
• Cell volume: 6532.2 ± 0.2 ų
• Cell temperature: 120.02 ± 0.1 K
• Ambient diffraction temperature: 120.02 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No