Information card for entry 2212299

Structure parameters

• Chemical name: Triniobium decaselenide trichloride
• Formula: Cl3 Nb3 Se10
• Calculated formula: Cl3 Nb3 Se10
• SMILES: [Nb]1234(Cl)([Se]5[Nb]6789([Se]1[Se]26)([Se]1[Se]7[Nb]12([Se]9[Se]82)Cl)[Se]45)([Se]1[Se]23)[Cl][Nb]1234([Se]1[Se]23)(Cl)[Se]3[Se]4[Nb]123456[Se]1[Nb]23([Se]15)([Se]4[Se]26)([Se][Se]3)(Cl)Cl
• Title of publication: A new pseudo-two-dimensional niobium chloride selenide, Nb~3~Se~10~Cl~3~
• Authors of publication: Jung-Eun Kwak; Song-I Hahn; Hoseop Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: i27 - i29
• a: 7.207 ± 0.003 Å
• b: 18.974 ± 0.008 Å
• c: 11.834 ± 0.007 Å
• α: 90°
• β: 95.6 ± 0.02°
• γ: 90°
• Cell volume: 1610.5 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes