Information card for entry 7000069

Structure parameters

• Common name: Compound 7
• Formula: C25 H23 Cl Ga N P2 S2
• Calculated formula: C25 H23 Cl Ga N P2 S2
• SMILES: [Ga]1([S]=P(N=P(S1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C)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: 15.2636 ± 0.0018 Å
• b: 17.995 ± 0.002 Å
• c: 18.335 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5036 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No