Information card for entry 1560440

Structure parameters

• Formula: C6 Cu2 Ge Mn N6 Se5
• Calculated formula: C6 Cu2 Ge Mn N6 Se5
• SMILES: [Se]12[Ge]3([Se][Cu]4[Se]([Se]3)[Cu]14)[Se][Cu]1[Se][Ge]3([Se][Cu]21[Se][Se]3)[Se].[Mn]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.[Mn]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3
• Title of publication: Synthesis, crystal structure, near-IR photoelectric response of two 1-D selenides: [Cu 2 MSe 5 ]·[Mn(H + -en) 2 (en)] (M=Ge, Sn)
• Authors of publication: Zhang, Yingying; Hu, Dandan; Yang, Huajun; Lin, Jian; Wu, Tao
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 251
• Pages of publication: 61 - 64
• a: 9.6327 ± 0.0003 Å
• b: 20.6934 ± 0.0007 Å
• c: 10.3704 ± 0.0003 Å
• α: 90°
• β: 100.646 ± 0.003°
• γ: 90°
• Cell volume: 2031.58 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No