Information card for entry 4119566

Structure parameters

• Formula: C31 H46 N4 O10 S2
• Calculated formula: C31 H38 N4 O10 S2
• Title of publication: Nickel(II) Dithiocarbamate Complexes Containing Sulforhodamine B as Fluorescent Probes for Selective Detection of Nitrogen Dioxide
• Authors of publication: Yan Yan; Saarangan Krishnakumar; Huan Yu; Srinivas Ramishetti; Lih-Wen Deng; Suhua Wang; Leaf Huang; Dejian Huang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 5312 - 5315
• a: 12.613 ± 0.002 Å
• b: 19.375 ± 0.003 Å
• c: 14.109 ± 0.002 Å
• α: 90°
• β: 95.196 ± 0.004°
• γ: 90°
• Cell volume: 3433.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1295
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.2439
• Weighted residual factors for all reflections included in the refinement: 0.2683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No