Information card for entry 1519540

Structure parameters

• Formula: C49 H48 Cl6 N5 O0.5 P Ru
• Calculated formula: C49 H48 Cl6 N5 O0.5 P Ru
• SMILES: [Ru]12(Cl)(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[n]3c(N4C=2N(c2c(C)cc(C)cc2C)C=C4)cccc3N2C=1N(C=C2)c1c(C)cc(C)cc1C.ClCCl.ClCCl.O
• Title of publication: C49H48Cl6N5O0.50PRu
• Authors of publication: Danopoulos, Andreas A.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2003
• Pages of publication: 887
• a: 20.561 ± 0.004 Å
• b: 18.024 ± 0.003 Å
• c: 13.845 ± 0.003 Å
• α: 90°
• β: 102.444 ± 0.004°
• γ: 90°
• Cell volume: 5010.3 ± 1.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.1048
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.2084
• Weighted residual factors for all reflections included in the refinement: 0.2379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.6888 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No