Information card for entry 7242168

Structure parameters

• Formula: C30 H44 Co N6 O4 P2 S4
• Calculated formula: C30 H44 Co N6 O4 P2 S4
• Title of publication: Supramolecular chirality in the crystals of mononuclear and polymeric cobalt(ii) complexes with enantiopure and racemic N-thiophosphorylated thioureas
• Authors of publication: Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Yamaleeva, Zilya; Zinnatullin, Ruzal; Nikitina, Kristina; Badeeva, Elena; Khrizanforova, Vera; Budnikova, Yulia; Naumann, Marco; Wellm, Christoph; Alfonsov, Alexey; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 10
• Pages of publication: 2081 - 2090
• a: 24.5759 ± 0.0011 Å
• b: 39.5254 ± 0.0018 Å
• c: 7.5072 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7292.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0199
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No