Information card for entry 7013685

Structure parameters

• Formula: C20 H16 Cl0.17 F5 N5 P0.83 Ru0.5
• Calculated formula: C40 H32 Cl0.333333 F9.99973 N10 P1.66667 Ru
• Title of publication: Spontaneous resolution of a diastereomeric ruthenium(ii) complex with an atropisomeric 4,4?-biquinazoline ligand
• Authors of publication: Ademi, Ljumni; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Sylvia
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 24
• Pages of publication: 4565
• a: 30.143 ± 0.002 Å
• b: 30.143 ± 0.002 Å
• c: 30.143 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 27388 ± 3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 214
• Hermann-Mauguin space group symbol: I 41 3 2
• Hall space group symbol: I 4bd 2c 3
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0397
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No