Information card for entry 7012944

Structure parameters

• Formula: C23 H30 Br3 Ga3 N4 Se3
• Calculated formula: C23 H30 Br3 Ga3 N4 Se3
• SMILES: Br[Ga]1([Se][Ga](Br)([Se][Ga](Br)([Se]1)[n]1cc(cc(C)c1)C)[n]1cc(C)cc(C)c1)[n]1cc(C)cc(C)c1.C(#N)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: 11.447 ± 0.0001 Å
• b: 20.5176 ± 0.0002 Å
• c: 14.5765 ± 0.0002 Å
• α: 90°
• β: 107.303 ± 0.0004°
• γ: 90°
• Cell volume: 3268.57 ± 0.06 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• 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: 0.03
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No