Information card for entry 7000067

Structure parameters

• Common name: Compound 4
• Formula: C16 H20 Cl2 Ga N O3 P2 S
• Calculated formula: C16 H20 Cl2 Ga N O3 P2 S
• SMILES: [Ga]1(Cl)(Cl)[S]=P(N=P(O1)(OCC)OCC)(c1ccccc1)c1ccccc1
• 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: 9.3056 ± 0.001 Å
• b: 9.6427 ± 0.001 Å
• c: 14.6899 ± 0.0015 Å
• α: 76.044 ± 0.002°
• β: 73.046 ± 0.002°
• γ: 62.095 ± 0.002°
• Cell volume: 1105.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No