Information card for entry 2200241

Structure parameters

• Common name: Bert*GaCl2.pyridine + 0.5C6H6
• Formula: C44 H57 Cl2 Ga N
• Calculated formula: C44 H57 Cl2 Ga N
• SMILES: [Ga](Cl)(Cl)([n]1ccccc1)c1c(cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.c1ccccc1
• Title of publication: A donor‒acceptor adduct: sterically encumbered terphenyl dichloro[2,6-bis(2,4,6-triisopropylphenyl)phenyl]dichloro(pyridine)gallium benzene hemisolvate
• Authors of publication: Twamley, Brendan; Power, Philip P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: m88 - m91
• a: 24.334 ± 0.002 Å
• b: 20.954 ± 0.002 Å
• c: 32.936 ± 0.003 Å
• α: 90°
• β: 104.706 ± 0.002°
• γ: 90°
• Cell volume: 16244 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.189
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No