Information card for entry 2022957

Structure parameters

• Chemical name: Bis(benzene-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')bis(benzene-1,2-diamine-κ<i>N</i>)cadmium(II) naphthalene-1,5-disulfonate
• Formula: C34 H38 Cd N8 O6 S2
• Calculated formula: C34 H38 Cd N8 O6 S2
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of a cadmium complex of naphthalene-1,5-disulfonate and o-phenylenediamine
• Authors of publication: Suyunov, Jabbor; Torambetov, Batirbay; Turaev, Khayit; Kadirova, Shakhnoza; Alimnazarov, Bekmurod; Ashurov, Jamshid
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 12
• Pages of publication: 1190 - 1193
• a: 23.5743 ± 0.0002 Å
• b: 7.7286 ± 0.0001 Å
• c: 19.726 ± 0.0002 Å
• α: 90°
• β: 103.858 ± 0.001°
• γ: 90°
• Cell volume: 3489.39 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes