Information card for entry 7701474

Structure parameters

• Formula: C53 H44 Cl N3 O P2 Ru
• Calculated formula: C53 H45 Cl N3 O P2 Ru
• Title of publication: Cooperative Ruthenium Complex Catalyzed Multicomponent Synthesis of Pyrimidines
• Authors of publication: Maji, Milan; Kundu, Sabuj
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 9.806 ± 0.005 Å
• b: 22.261 ± 0.005 Å
• c: 19.795 ± 0.005 Å
• α: 90 ± 0.005°
• β: 95.099 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4304 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1194
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No