Information card for entry 7247586

Structure parameters

• Formula: C12 H32 N8 Sb2 Se5 Zn2
• Calculated formula: C12 H32 N8 Sb2 Se5 Zn2
• SMILES: [Sb]([Se][Sb]([Se][Zn]123[NH2]CC[N]2(CC[NH2]1)CC#[N]3)[Se-])([Se][Zn]123[N](CC[NH2]1)(CC[NH2]2)CC[NH2]3)[Se-]
• Title of publication: Syntheses, crystal structure, and photoelectric properties of two Zn-based chalcogenidoantimonates Zn-Sb-Q (Q = S, Se).
• Authors of publication: Zhang, Lirong; Zhao, Huiling; Liu, Xin; Teri, Gele; Baiyin, Menghe
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 43
• Pages of publication: 29709 - 29717
• a: 30.4965 ± 0.0011 Å
• b: 7.825 ± 0.0002 Å
• c: 23.6797 ± 0.0008 Å
• α: 90°
• β: 94.921 ± 0.002°
• γ: 90°
• Cell volume: 5630 ± 0.3 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 K
• Number of distinct elements: 6
• 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: 0.11
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No