Information card for entry 7031120

Structure parameters

• Formula: C16 H54 Ho2 N12 O2 Se6 Sn2
• Calculated formula: C16 H54 Ho2 N12 O2 Se6 Sn2
• SMILES: C1C[NH]2CC[NH2][Ho]3452([NH2]1)([NH2]CC[NH]3CC[NH2]4)[OH][Ho]1234([NH2]CC[NH]1CC[NH2]2)([NH2]CC[NH]3CC[NH2]4)[OH]5.[Se-][Sn]1([Se][Sn]([Se-])([Se]1)[Se-])[Se-]
• Title of publication: Solvothermal syntheses and characterizations of three new holmium selenidostannates(iv): a rare example of adamantane-like [Sn4Se10](4-) selenidostannate(iv) with lanthanide complexes.
• Authors of publication: Xiao, Hong-Ping; Zhou, Jian; Wang, Xiao-Li; Zou, Hua-Hong; Zhao, Rong-Qing; Xiao, Hong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 32
• Pages of publication: 12306 - 12312
• a: 12.0096 ± 0.0006 Å
• b: 11.7181 ± 0.0006 Å
• c: 13.7717 ± 0.0007 Å
• α: 90°
• β: 99.138 ± 0.001°
• γ: 90°
• Cell volume: 1913.49 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0249
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No