Information card for entry 4345334

Structure parameters

• Formula: C102 H130 B4 N24 S7 Y4
• Calculated formula: C102 H130 B4 N24 S7 Y4
• SMILES: [BH]12[n]3c(cc(C)[n]3[Y]345([n]6c(cc(n16)C)C)([n]1n2c(cc1C)C)[S]12[Y]678([n]9n([BH](n%10[n]6c(cc%10C)C)n6[n]7c(cc6C)C)c(cc9C)C)([S](Cc6ccccc6)[Y]672([S]3Cc2ccccc2)([n]2c(cc(C)n2[BH](n2c(cc(C)[n]62)C)n2[n]7c(cc2C)C)C)[S]([Y]231([n]1c(cc(C)n1[BH](n1c(cc(C)[n]21)C)n1[n]3c(cc1C)C)C)([S]8Cc1ccccc1)[S]5Cc1ccccc1)Cc1ccccc1)[S]4Cc1ccccc1)C
• Title of publication: Facile Construction of Yttrium Pentasulfides from Yttrium Alkyl Precursors: Synthesis, Mechanism, and Reactivity.
• Authors of publication: Zhang, Fangjun; Zhang, Jie; Zhou, Xigeng
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 2070 - 2077
• a: 28.859 ± 0.002 Å
• b: 28.859 ± 0.002 Å
• c: 28.859 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 24035 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.2306
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.2015
• Weighted residual factors for all reflections included in the refinement: 0.281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No