Information card for entry 7021929

Structure parameters

• Formula: C32 H20 As N4 P S4
• Calculated formula: C32 H20 As N4 P S4
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[As]12(SC(C#N)=C(S1)C#N)SC(=C(S2)C#N)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: 7.713 ± 0.005 Å
• b: 15.765 ± 0.005 Å
• c: 26.415 ± 0.005 Å
• α: 90°
• β: 99.696 ± 0.012°
• γ: 90°
• Cell volume: 3166 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1252
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.2391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No