Information card for entry 7716613

Structure parameters

• Formula: C42 H38 Cl6 N4 O6 Re2
• Calculated formula: C40 H34 Cl2 N4 O6 Re2
• Title of publication: The role of stereochemistry in the anticancer activity of Re(I) tricarbonyl complexes.
• Authors of publication: Solea, Atena B.; Demirci, Gozde; Harvey, Freya M.; Crochet, Aurelien; Zobi, Fabio; Mamula Steiner, Olimpia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 33
• Pages of publication: 13743 - 13755
• a: 9.6008 ± 0.0001 Å
• b: 16.6361 ± 0.0002 Å
• c: 14.2496 ± 0.0001 Å
• α: 90°
• β: 102.644 ± 0.001°
• γ: 90°
• Cell volume: 2220.75 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No