Information card for entry 7004667

Structure parameters

• Chemical name: mu!2$-2,5-dithiahexane-bis(triiodogallium(III))
• Formula: C4 H10 Ga2 I6 S2
• Calculated formula: C4 H10 Ga2 I6 S2
• SMILES: C(C[S](C)[Ga](I)(I)I)[S]([Ga](I)(I)I)C
• Title of publication: Synthesis, characterisation and structures of thio-, seleno- and telluro-ether complexes of gallium(iii)
• Authors of publication: Gurnani, Chitra; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 6274 - 6282
• a: 11.512 ± 0.002 Å
• b: 7.282 ± 0.0015 Å
• c: 12.535 ± 0.003 Å
• α: 90°
• β: 100.119 ± 0.01°
• γ: 90°
• Cell volume: 1034.5 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No