Information card for entry 7039255

Structure parameters

• Formula: C47 H36 F6 N2 P2 Ru
• Calculated formula: C47 H36 F6 N2 P2 Ru
• SMILES: [Ru]12345([n]6c7c(ccc8c7[n]1ccc8c1ccccc1)c(c1ccccc1)cc6)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[cH]1[cH]3[cH]5[cH]4[cH]21.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: New [(η(5)-C5H5)Ru(N-N)(PPh3)][PF6] compounds: colon anticancer activity and GLUT-mediated cellular uptake of carbohydrate-appended complexes.
• Authors of publication: Florindo, Pedro R.; Pereira, Diane M.; Borralho, Pedro M.; Costa, Paulo J.; Piedade, M. F. M.; Rodrigues, Cecília M P; Fernandes, Ana C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 30
• Pages of publication: 11926 - 11930
• a: 12.538 ± 0.0007 Å
• b: 14.8077 ± 0.0008 Å
• c: 20.7137 ± 0.0011 Å
• α: 90°
• β: 93.309 ± 0.003°
• γ: 90°
• Cell volume: 3839.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.116
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No