Information card for entry 7720559

Structure parameters

• Formula: C21 H17 N3 Ni O2
• Calculated formula: C21 H17 N3 Ni O2
• Title of publication: Synthesis of Ni(II) and Zn(II) complexes of pyrrolyl dipyrrins and their biomimetic role in catalyzing the hydrolysis of the phospho-ester bond.
• Authors of publication: Chauhan, Pinky; Sarkar, Abani; Ravikanth, Mangalampalli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 1349 - 1359
• a: 8.447 ± 0.008 Å
• b: 8.757 ± 0.008 Å
• c: 13.826 ± 0.012 Å
• α: 74.579 ± 0.019°
• β: 74.53 ± 0.02°
• γ: 65.03 ± 0.02°
• Cell volume: 879.7 ± 1.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1286
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.2227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0306
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No