Information card for entry 7000068

Structure parameters

• Common name: Compound 5
• Formula: C14 H16 Cl2 Ga N P2 S2
• Calculated formula: C14 H16 Cl2 Ga N P2 S2
• SMILES: [Ga]1([S]=P(c2ccccc2)(c2ccccc2)N=P(S1)(C)C)(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: 9.4244 ± 0.0007 Å
• b: 9.9156 ± 0.0007 Å
• c: 11.1223 ± 0.0008 Å
• α: 86.42 ± 0.001°
• β: 85.512 ± 0.001°
• γ: 73.493 ± 0.001°
• Cell volume: 992.59 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No