Information card for entry 7704386

Structure parameters

• Formula: C56 H65 N9 O4 S6 Zn
• Calculated formula: C56 H65 N9 O4 S6 Zn
• SMILES: [Zn]12345[n]6c7C(=O)N3c3c(SSSc8ccccc8N1C(=O)c1[n]2c(C(=O)N5c2ccccc2SSSc2c(N4C(=O)c6ccc7)cccc2)ccc1)cccc3.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.C(#N)C
• Title of publication: Sulfur transfer reactions of a zinc tetrasulfanido complex.
• Authors of publication: Ballesteros Ii, Moises; Tsui, Emily Y.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 45
• Pages of publication: 16305 - 16311
• a: 12.7592 ± 0.0015 Å
• b: 13.6618 ± 0.0017 Å
• c: 18.171 ± 0.002 Å
• α: 107.544 ± 0.002°
• β: 105.251 ± 0.002°
• γ: 98.746 ± 0.002°
• Cell volume: 2820.1 ± 0.6 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No