Information card for entry 7238993

Structure parameters

• Formula: C37 H33 N9 Ni O S2
• Calculated formula: C37 H33 N9 Ni O S2
• Title of publication: Synthesis, crystal structure and bio-macromolecular interaction studies of pyridine-based thiosemicarbazone and its Ni(ii) and Cu(ii) complexes
• Authors of publication: Basu, Arghya; Thiyagarajan, Durairaj; Kar, Chirantan; Ramesh, Aiyagari; Das, Gopal
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 33
• Pages of publication: 14088
• a: 9.0267 ± 0.001 Å
• b: 33.436 ± 0.003 Å
• c: 12.2036 ± 0.0011 Å
• α: 90°
• β: 100.916 ± 0.006°
• γ: 90°
• Cell volume: 3616.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2287
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.2039
• Weighted residual factors for all reflections included in the refinement: 0.206
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No