Information card for entry 7241543

Structure parameters

• Formula: C16 H14 Br2 Cu2 N2 S2
• Calculated formula: C16 H14 Br2 Cu2 N2 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: 13.306 ± 0.003 Å
• b: 10.4481 ± 0.0012 Å
• c: 13.639 ± 0.003 Å
• α: 90°
• β: 99.86 ± 0.015°
• γ: 90°
• Cell volume: 1868.1 ± 0.6 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0628
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No