Information card for entry 4326401

Structure parameters

• Common name: (phen)3(CH3NH3)(Sn2Se6)
• Chemical name: (phen)3(CH3NH3)(Sn2Se6)
• Formula: C76 H72 N16 Se6 Sn2
• Calculated formula: C76 H72 N16 Se6 Sn2
• SMILES: C[NH3+].[NH3+]C.c1ccc2c(n1)c1ncccc1cc2.c1ccc2ccc3cccnc3c2n1.c1ccc2c(n1)c1c(cccn1)cc2.[Se-][Sn]1([Se-])[Se][Sn]([Se-])([Se]1)[Se-].C[NH3+].C[NH3+].c1ccc2ccc3cccnc3c2n1.c1ccc2ccc3cccnc3c2n1.c1ccc2ccc3cccnc3c2n1
• Title of publication: Different Effects of a Cotemplate and [(Transition-Metal)(1,10-Phenanthroline)m]2+ (m= 1-3) Complex Cations on the Self-assembly of a Series of Hybrid Selenidostannates Showing Combined Optical Properties of Organic and Inorganic Components
• Authors of publication: Guang-Ning Liu; Guo-Cong Guo; Ming-Jian Zhang; Jin-Shuang Guo; Hui-Yi Zeng; Jin-Shun Huang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9660 - 9669
• a: 10.594 ± 0.003 Å
• b: 12.225 ± 0.004 Å
• c: 14.945 ± 0.004 Å
• α: 83.589 ± 0.005°
• β: 83.133 ± 0.007°
• γ: 86.604 ± 0.006°
• Cell volume: 1907.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No