Information card for entry 4301361

Structure parameters

• Formula: C82 H108 Ga20 N12 S34
• Calculated formula: C82 H108 Ga20 N12 S34
• SMILES: c1c(cc(c[n]1[Ga]12S[Ga]34[S]5[Ga]6(S1)S[Ga]1(S[Ga]75S[Ga]([n]5ccc(cc5)CCc5cc[n](cc5)[Ga]58S[Ga]9%10S[Ga]%11([n]%12cc(cc(c%12)C)C)S[Ga]%12%13[S]%14[Ga]%15(S%11)S[Ga]%11(S[Ga]([S]9%15)(S8)[S]8[Ga]([S]%10%13)(S5)S[Ga]([n]5cc(cc(c5)C)C)(S%12)S[Ga]%148S%11)[S-])(S4)S[Ga]45[S]3[Ga]3([S]6[Ga](S1)([S]75)S[Ga]([n]1cc(cc(c1)C)C)(S3)S4)S2)[S-])C)C.c1c(cc(c[nH+]1)C)C.c1(c[nH+]cc(c1)C)C.[nH+]1cc(cc(c1)C)C.c1c(cc(c[nH+]1)C)C.c1c(cc(c[nH+]1)C)C.c1c(cc(c[nH+]1)C)C
• Title of publication: Zero-Dimensional Units of Ligand-Bridged Gallium-Sulfide Supertetrahedra
• Authors of publication: Paz Vaqueiro; M. Lucia Romero
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 810 - 812
• a: 12.072 ± 0.0006 Å
• b: 12.2402 ± 0.0007 Å
• c: 22.7189 ± 0.0012 Å
• α: 89.774 ± 0.003°
• β: 80.018 ± 0.003°
• γ: 76.112 ± 0.003°
• Cell volume: 3207.1 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for all reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.027
• Weighted residual factors for all reflections included in the refinement: 0.027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No