Information card for entry 7007403

Structure parameters

• Formula: C38 H57 Co Ga K N4 O
• Calculated formula: C38 H57 Co Ga K N4 O
• SMILES: [Ga]1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Co]1234([cH]5[cH]1[cH]2[cH]3[cH]45)C#[O].[K]1[N](C)(C)CC[N]1(C)C
• Title of publication: Complexes of a gallium heterocycle with transition metal dicyclopentadienyl and cyclopentadienylcarbonyl fragments, and with a dialkylmanganese compound.
• Authors of publication: Aldridge, Simon; Baker, Robert J.; Coombs, Natalie D.; Jones, Cameron; Rose, Richard P.; Rossin, Andrea; Willock, David J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 27
• Pages of publication: 3313 - 3320
• a: 11.86 ± 0.002 Å
• b: 14.192 ± 0.003 Å
• c: 23.631 ± 0.005 Å
• α: 90°
• β: 96.05 ± 0.03°
• γ: 90°
• Cell volume: 3955.3 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.089
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No