Information card for entry 7720996

Structure parameters

• Formula: C53 H49 Cl N4 O P2 Ru
• Calculated formula: C53 H49 Cl N4 O P2 Ru
• Title of publication: Cooperative Ruthenium Catalyst for Deaminative Coupling of Primary Amines to Symmetrical Secondary Amines
• Authors of publication: Bera, Jitendra K.; Yadav, Sudhir; Chourasia, Vishal; Ranjan, Prabodh; De, Subhabrata; Saptal, Vitthal Bhimrao
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 16.1059 ± 0.0009 Å
• b: 15.2451 ± 0.0007 Å
• c: 21.8945 ± 0.0011 Å
• α: 90°
• β: 103.724 ± 0.002°
• γ: 90°
• Cell volume: 5222.4 ± 0.5 ų
• Cell temperature: 100 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: 0.1062
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No