Information card for entry 7713256

Structure parameters

• Formula: C29 H23 Cl3 F3 Fe N6 O6 Re S
• Calculated formula: C29 H23 Cl3 F3 Fe N6 O6 Re S
• Title of publication: Synthesis, characterisation and biological evaluation of monometallic Re(I) and heterobimetallic Re(I)/Fe(II) complexes with a 1,2,3-triazolyl pyridine chelating moiety.
• Authors of publication: Jakopec, Silvio; Gourdon-Grünewaldt, Lisa; Čipor, Ivona; Meščić Macan, Andrijana; Perić, Berislav; Piantanida, Ivo; Cariou, Kevin; Gasser, Gilles; Kirin, Srećko I; Raić-Malić, Silvana
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 9.3014 ± 0.0001 Å
• b: 31.0939 ± 0.0004 Å
• c: 12.5522 ± 0.0002 Å
• α: 90°
• β: 102.377 ± 0.001°
• γ: 90°
• Cell volume: 3545.93 ± 0.08 ų
• Cell temperature: 294.87 ± 0.1 K
• Ambient diffraction temperature: 294.87 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No