Information card for entry 7012941

Structure parameters

• Formula: C27 H39 Br3 Ga3 N3 S3
• Calculated formula: C27 H39 Br3 Ga3 N3 S3
• SMILES: [Ga]1(Br)(S[Ga](Br)(S[Ga](Br)(S1)[n]1ccc(cc1)C(C)(C)C)[n]1ccc(cc1)C(C)(C)C)[n]1ccc(cc1)C(C)(C)C
• Title of publication: Preparation and structure of soluble complexes of the ternary compounds GaSBr and GaSeBr
• Authors of publication: Nogai, Stefan D.; Schmidbaur, Hubert
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 2488
• a: 12.174 ± 0.0002 Å
• b: 14.5494 ± 0.0003 Å
• c: 21.0291 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3724.77 ± 0.13 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• 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: 0.0755
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No