Information card for entry 7247345

Structure parameters

• Formula: C38 H26 N2 Ni P S4
• Calculated formula: C38 H26 N2 Ni P S4
• Title of publication: Cyano benzene functionalised Ni and Cu bisdithiolene complexes
• Authors of publication: Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 37
• Pages of publication: 5362 - 5371
• a: 24.9983 ± 0.0007 Å
• b: 11.6753 ± 0.0003 Å
• c: 11.664 ± 0.0003 Å
• α: 90°
• β: 90.396 ± 0.001°
• γ: 90°
• Cell volume: 3404.2 ± 0.16 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0623
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No