Information card for entry 4345035

Structure parameters

• Formula: C76 H64 N2 S
• Calculated formula: C76 H64 N2 S
• SMILES: S=c1n(c2c(C(c3ccccc3)c3ccccc3)cc(cc2C(c2ccccc2)c2ccccc2)C)ccn1c1c(C(c2ccccc2)c2ccccc2)cc(cc1C(c1ccccc1)c1ccccc1)C.c1(ccccc1)C
• Title of publication: Unique Approach to Copper(I) Silylene Chalcogenone Complexes.
• Authors of publication: Parvin, Nasrina; Pal, Shiv; Khan, Shabana; Das, Shubhajit; Pati, Swapan K.; Roesky, Herbert W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1706 - 1712
• a: 12.601 ± 0.006 Å
• b: 15.542 ± 0.007 Å
• c: 16.027 ± 0.007 Å
• α: 74.564 ± 0.01°
• β: 70.05 ± 0.01°
• γ: 81.531 ± 0.011°
• Cell volume: 2838 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2937
• Residual factor for significantly intense reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.1735
• Weighted residual factors for all reflections included in the refinement: 0.2639
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No