Information card for entry 7241546

Structure parameters

• Formula: C22 H23 Cu5 I5 N5 S2
• Calculated formula: C22 H23 Cu5 I5 N5 S2
• Title of publication: Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence
• Authors of publication: Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 2
• Pages of publication: 299 - 307
• a: 10.3178 ± 0.0004 Å
• b: 15.5879 ± 0.0011 Å
• c: 21.9885 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3536.5 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No