Information card for entry 7012943

Structure parameters

• Formula: C25 H35 Br3 Ga3 N3 O Se3
• Calculated formula: C25 H35 Br3 Ga3 N3 O Se3
• SMILES: [Se]1[Ga](Br)([Se][Ga]([Se][Ga]1(Br)[n]1cc(cc(c1)C)C)(Br)[n]1cc(cc(c1)C)C)[n]1cc(cc(c1)C)C.O1CCCC1
• 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: 34.896 ± 0.0006 Å
• b: 10.8132 ± 0.0002 Å
• c: 18.5066 ± 0.0003 Å
• α: 90°
• β: 100.209 ± 0.0006°
• γ: 90°
• Cell volume: 6872.7 ± 0.2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 7
• 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: 0.0401
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No