Information card for entry 7031427

Structure parameters

• Formula: C25 H32 Ge4 N4 O S10
• Calculated formula: C25 H32 Ge4 N4 O S10
• SMILES: [Ge]12([S-])S[Ge]3([S-])S[Ge](S1)([S-])S[Ge](S2)(S3)[S-].[n+]1(ccc(cc1)c1cc[n+](cc1)C)C.[n+]1(ccc(cc1)c1cc[n+](cc1)C)C.CO
• Title of publication: Ion pair charge-transfer thiogermanate salts [MV]2Ge4S10·xSol: solvent induced crystal transformation and photocurrent responsive properties.
• Authors of publication: Sun, Xiao-Lu; Zhu, Qin-Yu; Mu, Wen-Qin; Qian, Li-Wen; Yu, Lan; Wu, Jing; Bian, Guo-Qing; Dai, Jie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 33
• Pages of publication: 12582 - 12589
• a: 10.0424 ± 0.0008 Å
• b: 11.5726 ± 0.0012 Å
• c: 17.4356 ± 0.0018 Å
• α: 79.485 ± 0.014°
• β: 74.554 ± 0.013°
• γ: 74.835 ± 0.014°
• Cell volume: 1871.2 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1332
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No