Information card for entry 1563238

Structure parameters

• Formula: C6 H16 In2 N2 Se5
• Calculated formula: C6 H16 In2 N2 Se5
• SMILES: [In]1[Se][Se][In]2([Se]1)[Se][In]1([Se]2)[Se][Se][In]([Se]1)([Se])[Se].[NH3+][C@H]1CC[C@H]([NH3+])CC1.[NH3+][C@H]1CC[C@H]([NH3+])CC1
• Title of publication: Hydrothermal synthesis of [C6H16N2][In2Se3(Se2)]: A new one-dimensional indium selenide
• Authors of publication: Ewing, Sarah J.; Powell, Anthony V.; Vaqueiro, Paz
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2011
• Journal volume: 184
• Journal issue: 7
• Pages of publication: 1800 - 1804
• a: 12.0221 ± 0.0016 Å
• b: 11.2498 ± 0.0015 Å
• c: 12.847 ± 0.0017 Å
• α: 90°
• β: 110.514 ± 0.006°
• γ: 90°
• Cell volume: 1627.3 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0167
• Residual factor for significantly intense reflections: 0.014
• Weighted residual factors for all reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0162
• Weighted residual factors for all reflections included in the refinement: 0.0162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0528
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No