Information card for entry 4517785

Structure parameters

• Formula: C10 H10 N2 S
• Calculated formula: C10 H10 N2 S
• SMILES: s1c(ccc1)C/N=C/c1[nH]ccc1
• Title of publication: New Palladium(II) and Platinum(II) Complexes Based on Pyrrole Schiff Bases: Synthesis, Characterization, X-ray Structure, and Anticancer Activity
• Authors of publication: Mbugua, Simon N.; Sibuyi, Nicole R. S.; Njenga, Lydia W.; Odhiambo, Ruth A.; Wandiga, Shem O.; Meyer, Mervin; Lalancette, Roger A.; Onani, Martin O.
• Journal of publication: ACS Omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 25
• Pages of publication: 14942 - 14954
• a: 9.6273 ± 0.0004 Å
• b: 9.7032 ± 0.0004 Å
• c: 20.4587 ± 0.0009 Å
• α: 90°
• β: 96.053 ± 0.002°
• γ: 90°
• Cell volume: 1900.51 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No