Information card for entry 7000070

Structure parameters

• Common name: Compound 2
• Formula: C24 H20 Cl2 Ga N P2 S2
• Calculated formula: C24 H20 Cl2 Ga N P2 S2
• SMILES: [Ga]1([S]=P(N=P(S1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl
• Title of publication: Dichloro and alkylchloro gallium derivatives of dichalcogenoimidodiphosphinate ligands: isolation of a spirogallium cation.
• Authors of publication: Muñoz-Hernández, Miguel-Angel; Montiel-Palma, Virginia; Huitrón-Rattinger, Estefanía; Cortés-Llamas, Sara; Tiempos-Flores, Norma; Grevy, Jean-Michel; Silvestru, Cristian; Power, Philip
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 1
• Pages of publication: 193 - 199
• a: 10.7275 ± 0.0012 Å
• b: 16.0085 ± 0.0017 Å
• c: 15.2662 ± 0.0017 Å
• α: 90°
• β: 98.097 ± 0.002°
• γ: 90°
• Cell volume: 2595.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No