Information card for entry 7031425

Structure parameters

• Formula: C24 H40 Ge4 N4 O6 S10
• Calculated formula: C24 H28 Ge4 N4 O6 S10
• SMILES: c1cc(cc[n+]1C)c1cc[n+](cc1)C.O.O.S1[Ge]2(S[Ge]3([S-])S[Ge](S[Ge]1([S-])S3)([S-])S2)[S-].O.c1cc(c2cc[n+](cc2)C)cc[n+]1C.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: 10.9355 ± 0.0008 Å
• b: 10.9355 ± 0.0008 Å
• c: 34.918 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4175.7 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No