Information card for entry 7719711

Structure parameters

• Formula: C28 H22 N3 Ni O2 P S
• Calculated formula: C28 H22 N3 Ni O2 P S
• Title of publication: Group 10 complexes of benzothiazolehydrazone- and imidazo[1,5-<i>a</i>]pyridine-based ligands: structural artistry, biophysical study, and catalytic activity.
• Authors of publication: Rayasingh, Amlan Ranjan; Manivannan, Vadivelu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 45
• Pages of publication: 16939 - 16954
• a: 10.6337 ± 0.0007 Å
• b: 17.0662 ± 0.0012 Å
• c: 14.0797 ± 0.001 Å
• α: 90°
• β: 99.029 ± 0.002°
• γ: 90°
• Cell volume: 2523.5 ± 0.3 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No