Information card for entry 7217793

Structure parameters

• Formula: C16 H54 Er2 Ge2 N12 O2 S6
• Calculated formula: C16 H54 Er2 Ge2 N12 O2 S6
• SMILES: C1[NH2][Er]2345([NH2]CC[NH]3C1)([NH2]CC[NH]2CC[NH2]4)[OH][Er]1234([NH2]CC[NH]1CC[NH2]2)([NH2]CC[NH]3CC[NH2]4)[OH]5.[S-][Ge]1(S[Ge](S1)([S-])[S-])[S-]
• Title of publication: Solvothermal syntheses of lanthanide thiogermanates displaying three new structural moieties
• Authors of publication: Zhao, Rongqing; Zhou, Jian; Liu, Xing; Zhang, Li; Tang, Qiuling; Tan, XiaoFeng
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 11.71 ± 0.002 Å
• b: 11.318 ± 0.002 Å
• c: 13.548 ± 0.002 Å
• α: 90°
• β: 97.635 ± 0.003°
• γ: 90°
• Cell volume: 1779.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0184
• Residual factor for significantly intense reflections: 0.0171
• Weighted residual factors for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections included in the refinement: 0.0418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No