Information card for entry 7040353

Structure parameters

• Formula: C29.5 H26 Cl2 N6 O8 Re2
• Calculated formula: C29.5 H26 Cl2 N6 O8 Re2
• Title of publication: A combined experimental and DFT investigation on the structure and CO-releasing properties of mono and binuclear fac-Re(I)(CO)3 complexes with 5-pyridin-2-ylmethylene-amino uracils.
• Authors of publication: Jiménez-Pulido, Sonia B; Illán-Cabeza, Nuria A; Hueso-Ureña, Francisco; Maldonado, Carmen R.; Sánchez-Sánchez, Purificación; Fernández-Liencres, M Paz; Fernández-Gómez, Manuel; Moreno-Carretero, Miguel N
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 38
• Pages of publication: 15142 - 15154
• a: 32.246 ± 0.0012 Å
• b: 11.4564 ± 0.0013 Å
• c: 21.046 ± 0.002 Å
• α: 90°
• β: 121.537 ± 0.008°
• γ: 90°
• Cell volume: 6626.5 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.278
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No