Information card for entry 7036540

Structure parameters

• Formula: C23 H22 Cl8 Ga2 N4
• Calculated formula: C23 H22 Cl8 Ga2 N4
• SMILES: [Ga]12(Cl)(Cl)([n]3c(Cc4[n]1cccc4)cccc3)[n]1c(Cc3[n]2cccc3)cccc1.[Ga](Cl)(Cl)(Cl)[Cl-].ClCCl
• Title of publication: Group 13 complexes of dipyridylmethane, a forgotten ligand in coordination chemistry.
• Authors of publication: Vasko, Petra; Kinnunen, Virva; O Moilanen, Jani; Roemmele, Tracey L.; Boeré, René T; Konu, Jari; Tuononen, Heikki M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 41
• Pages of publication: 18247 - 18259
• a: 12.134 ± 0.005 Å
• b: 12.93 ± 0.005 Å
• c: 19.258 ± 0.005 Å
• α: 90°
• β: 104.453 ± 0.005°
• γ: 90°
• Cell volume: 2925.8 ± 1.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0595
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No