Information card for entry 7007400

Structure parameters

• Formula: C38 H50 Ga N2 V
• Calculated formula: C38 H50 Ga N2 V
• SMILES: [Ga]1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[V]12345678([c]9([cH]4[cH]3[cH]2[cH]19)C)[c]1([cH]8[cH]7[cH]6[cH]51)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: 13.34 ± 0.003 Å
• b: 16.734 ± 0.003 Å
• c: 15.496 ± 0.003 Å
• α: 90°
• β: 93.39 ± 0.03°
• γ: 90°
• Cell volume: 3453.1 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0997
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No