Information card for entry 7000560

Structure parameters

• Formula: C64 H80 Ag B Ga4
• Calculated formula: C64 H80 Ag B Ga4
• SMILES: c1cccc(c1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.[Ag]([Ga]1234[c]5([c]3([c]4([c]2([c]15C)C)C)C)C)([Ga]1234[c]5([c]3([c]2(C)[c]4([c]15C)C)C)C)([Ga]1234[c]5([c]3(C)[c]4([c]1(C)[c]25C)C)C)[Ga]1234[c]5(C)[c]3([c]1(C)[c]2([c]45C)C)C
• Title of publication: Reactions of cationic transition metal acetonitrile complexes [M(CH3CN)n]m+ with GaCp*: novel gallium complexes of iron, cobalt, copper and silver
• Authors of publication: Bollermann, Timo; Puls, Arik; Gemel, Christian; Cadenbach, Thomas; Fischer, Roland A.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 8
• Pages of publication: 1372
• a: 22.9395 ± 0.0012 Å
• b: 11.5835 ± 0.0005 Å
• c: 23.2679 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6182.7 ± 0.5 ų
• Cell temperature: 117 ± 2 K
• Ambient diffraction temperature: 117 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 0.631
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No