Information card for entry 7009161

Structure parameters

• Formula: C24 H64 In4 N4 S10
• Calculated formula: C12 H30 In4 N2 S10
• SMILES: C(CC)[NH2+]CCC.[NH2+](CCC)CCC.S1[In]2(S[In]3(S[In](S2)(S[In]1([S-])S3)[S-])[S-])[S-]
• Title of publication: On the formation of framework indium sulfides
• Authors of publication: Cahill, Christopher L.; Parise, J. B.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 9
• Pages of publication: 1475
• a: 10.322 ± 0.002 Å
• b: 30.803 ± 0.006 Å
• c: 15.861 ± 0.003 Å
• α: 90°
• β: 105.75 ± 0.03°
• γ: 90°
• Cell volume: 4853.6 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1329
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.2581
• Weighted residual factors for all reflections included in the refinement: 0.2703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.367
• Diffraction radiation wavelength: 0.643 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No