Information card for entry 4346738

Structure parameters

• Formula: C57 H60 Cl2 N7 P Ru
• Calculated formula: C57 H60 Cl2 N7 P Ru
• SMILES: [Ru]123(Cl)([P](c4ccccc4)(c4ccccc4)c4ccccc4)[n]4[nH]c(cc4C[N]3(Cc3[n]1[nH]c(c3)c1c(cc(cc1C)C)C)Cc1[n]2[nH]c(c1)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[Cl-]
• Title of publication: Protic Ruthenium Tris(pyrazol-3-ylmethyl)amine Complexes Featuring a Hydrogen-Bonding Network in the Second Coordination Sphere.
• Authors of publication: Yamagishi, Hiroaki; Nabeya, Shohei; Ikariya, Takao; Kuwata, Shigeki
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 24
• Pages of publication: 11584 - 11586
• a: 14.674 ± 0.003 Å
• b: 23.254 ± 0.004 Å
• c: 16.722 ± 0.003 Å
• α: 90°
• β: 114.554 ± 0.0018°
• γ: 90°
• Cell volume: 5190 ± 1.7 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No