Information card for entry 7062562

Structure parameters

• Chemical name: [Bis(di(1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidino)pyridine]Nickel(II) hexafluorophosphate
• Formula: C40 H57 F12 N15 Ni P2
• Calculated formula: C40 H57 F12 N15 Ni P2
• Title of publication: Ni(ii)-polypyridyl complexes as potential DNA binders
• Authors of publication: Sahni, Priya; Gupta, Rahat; Tripathy, Debakanta; Rath, Soumya Lipsa; Pal, Amlan K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 31
• Pages of publication: 14717 - 14725
• a: 23.772 ± 0.0014 Å
• b: 14.0221 ± 0.0008 Å
• c: 13.8462 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4615.4 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No