Information card for entry 4332950

Structure parameters

• Formula: C41 H43 B Cl3 F4 N3 P2 Ru
• Calculated formula: C40.99 H42.98 B Cl3 F4 N3 P2 Ru
• Title of publication: New Ru Complexes Containing the N-Tridentate bpea and Phosphine Ligands: Consequences of Meridional vs Facial Geometry
• Authors of publication: Mola, Joaquim; Rodríguez, Montserrat; Romero, Isabel; Llobet, Antoni; Parella, Teodor; Poater, Albert; Duran, Miquel; Solà, Miquel; Benet-Buchholz, Jordi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10520 - 10529
• a: 9.1355 ± 0.0006 Å
• b: 11.7412 ± 0.0008 Å
• c: 20.6366 ± 0.0014 Å
• α: 79.24 ± 0.002°
• β: 77.369 ± 0.002°
• γ: 69.907 ± 0.002°
• Cell volume: 2013.4 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No