Information card for entry 4315828

Structure parameters

• Formula: C88 H170 Er2 N12 S2 Si8
• Calculated formula: C88 H170 Er2 N12 S2 Si8
• SMILES: C1(=[N](C2CCCCC2)[Er]23(N1C1CCCCC1)([S](c1ccccc1)[Er]14([N](=C(N1C1CCCCC1)N([Si](C)(C)C)[Si](C)(C)C)C1CCCCC1)([N](=C(N4C1CCCCC1)N([Si](C)(C)C)[Si](C)(C)C)C1CCCCC1)[S]3c1ccccc1)[N](=C(N2C1CCCCC1)N([Si](C)(C)C)[Si](C)(C)C)C1CCCCC1)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Activation of Bis(guanidinate)lanthanide Alkyl and Aryl Complexes on Elemental Sulfur: Synthesis and Characterization of Bis(guanidinate)lanthanide Thiolates and Disulfides
• Authors of publication: Zhengxing Zhang; Lixin Zhang; Yanrong Li; Longcheng Hong; Zhenxia Chen; Xigeng Zhou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5715 - 5722
• a: 19.329 ± 0.005 Å
• b: 21.163 ± 0.005 Å
• c: 29.585 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12102 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No