Information card for entry 7021930

Structure parameters

• Formula: C32 H20 N4 P S4 Sb
• Calculated formula: C32 H20 N4 P S4 Sb
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.S1[Sb]2(SC(=C1C#N)C#N)SC(=C(C#N)S2)C#N
• Title of publication: Second order non-linear optical activity of arsenic and antimony dithiolene complexes.
• Authors of publication: Mitra, Joyee; Pal, Kuntal; Sarkar, Sabyasachi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 38
• Pages of publication: 13905 - 13911
• a: 12.843 ± 0.005 Å
• b: 17.361 ± 0.005 Å
• c: 7.026 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1566.6 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No