Information card for entry 4338989

Structure parameters

• Formula: C64 H69 Cl N6 O3 P4 Ru
• Calculated formula: C64 H69 Cl N6 O3 P4 Ru
• SMILES: [Ru]1234([c]5(C)[c]1([c]2(C)[c]3([c]45C)C)C)([P]12CN(c3ccccc3)P(N(C1)c1ccccc1)N(C2)c1ccccc1)([P]12CN(c3ccccc3)P(N(C1)c1ccccc1)N(C2)c1ccccc1)Cl.o1cccc1.o1cccc1.o1cccc1
• Title of publication: Comparisons of phosphorus ligation properties in P(CH2NR)3P.
• Authors of publication: Thirupathi, Natesan; Stricklen, Phillip M.; Liu, Xiaodong; Oshel, Reed; Guzei, Ilia; Ellern, Arkady; Verkade, John G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9351 - 9363
• a: 21.617 ± 0.003 Å
• b: 12.1196 ± 0.0017 Å
• c: 25.563 ± 0.004 Å
• α: 90°
• β: 109.264 ± 0.002°
• γ: 90°
• Cell volume: 6322.2 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0701
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 0.771
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No