Information card for entry 7000558

Structure parameters

• Formula: C122 H99 B2 Co F51 Ga3
• Calculated formula: C122 H99 B2 Co F51 Ga3
• SMILES: [Ga]1234([Co]5678([Ga]9%10%11%12[c]%13([c]%12([c]%11([c]%10([c]9%13C)C)C)C)C)([Ga]9%10%11%12[c]%13([c]9([c]%10([c]%11([c]%12%13C)C)C)C)C)[c]9([c]5([c]6([c]7([c]89C)C)C)C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.c1(ccccc1)F.Fc1ccccc1.Fc1ccccc1
• 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: 12.859 ± 0.006 Å
• b: 24.674 ± 0.009 Å
• c: 19.224 ± 0.009 Å
• α: 90°
• β: 101.57 ± 0.04°
• γ: 90°
• Cell volume: 5976 ± 5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.759
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No