Information card for entry 2022926

Structure parameters

• Chemical name: Diaquabis(<i>o</i>-phenylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) naphthalene-1,5-disulfonate
• Formula: C22 H26 N4 Ni O8 S2
• Calculated formula: C22 H26 N4 Ni O8 S2
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of di-aqua-bis-(<i>o</i>-phenyl-enedi-amine-κ²<i>N</i>,<i>N</i>')nickel(II) naphthalene-1,5-di-sulfonate.
• Authors of publication: Suyunov, Jabbor R.; Turaev, Khayit Kh; Alimnazarov, Bekmurod Kh; Nazarov, Yusuf E.; Mengnorov, Islombek J.; Ibragimov, Bakhtiyar T.; Ashurov, Jamshid M.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 11
• Pages of publication: 1083 - 1087
• a: 12.7613 ± 0.0003 Å
• b: 7.7054 ± 0.0001 Å
• c: 13.4641 ± 0.0003 Å
• α: 90°
• β: 111.554 ± 0.002°
• γ: 90°
• Cell volume: 1231.36 ± 0.05 ų
• Cell temperature: 563.15 K
• Ambient diffraction temperature: 563.15 K
• Number of distinct elements: 6
• 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: 0.0391
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes