Information card for entry 7239582

Structure parameters

• Formula: C46.5 H50 Cl2.5 N4 O8.5 Ru2
• Calculated formula: C45.5 H46 Cl2.5 N4 O9 Ru2
• Title of publication: Biophysical characterisation, antitumor activity and MOF encapsulation of a half-sandwich ruthenium(ii) mitoxantronato system
• Authors of publication: Rojas, S.; Quartapelle-Procopio, E.; Carmona, F. J.; Romero, M. A.; Navarro, J. A. R.; Barea, E.
• Journal of publication: J. Mater. Chem. B
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 17
• Pages of publication: 2473
• a: 20.9534 ± 0.0017 Å
• b: 15.4403 ± 0.0012 Å
• c: 29.153 ± 0.002 Å
• α: 90°
• β: 96.57 ± 0.002°
• γ: 90°
• Cell volume: 9369.8 ± 1.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 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: 0.1666
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.2134
• Weighted residual factors for all reflections included in the refinement: 0.2766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No