Information card for entry 7000597

Structure parameters

• Chemical name: trans-dibromobis(2,7-dimethyl-3,6-dithiaoctane-S,S')indium(III) tetrabromoindate
• Formula: C16 H36 Br6 In2 S4
• Calculated formula: C16 H36 Br6 In2 S4
• SMILES: [In]12(Br)(Br)([S](C(C)C)CC[S]1C(C)C)[S](C(C)C)CC[S]2C(C)C.[In](Br)(Br)([Br-])Br
• Title of publication: Synthesis, characterisation and structures of thio-, seleno- and telluro-ether complexes of indium(III) halides
• Authors of publication: Gurnani, Chitra; Jura, Marek; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 9
• Pages of publication: 1611 - 1619
• a: 11.4407 ± 0.001 Å
• b: 12.9075 ± 0.0012 Å
• c: 21.6066 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3190.7 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No