Information card for entry 7031426

Structure parameters

• Formula: C24 H40 Ge4 N4 O6 S10
• Calculated formula: C24 H28 Ge4 N4 O6 S10
• SMILES: c1cc(cc[n+]1C)c1cc[n+](C)cc1.O.O.O.[S-][Ge]12S[Ge]3([S-])S[Ge](S2)(S[Ge](S1)([S-])S3)[S-].c1cc(cc[n+]1C)c1cc[n+](cc1)C.O.O.O
• 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: 9.2968 ± 0.0015 Å
• b: 21.035 ± 0.003 Å
• c: 21.516 ± 0.004 Å
• α: 90°
• β: 101.997 ± 0.005°
• γ: 90°
• Cell volume: 4115.7 ± 1.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.1454
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No