Information card for entry 7000820

Structure parameters

• Formula: C66 H54 Cl7 N3 P3 Rh
• Calculated formula: C66 H53 Cl7 N3 P3 Rh
• SMILES: [Rh]123([P](n4c(C1(c1n([P]2(c2ccccc2)c2ccccc2)c2c(c1C)cccc2)c1n([P]3(c2ccccc2)c2ccccc2)c2c(c1C)cccc2)c(c1c4cccc1)C)(c1ccccc1)c1ccccc1)Cl.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Synthesis and reactivity of the novel hydride derivative RhHCl(TIMP3) (HTIMP3 = tris[1-(diphenylphosphino)-3-methyl-1H-indol-2-yl]methane)
• Authors of publication: Ciclosi, Marco; Estevan, Francisco; Lahuerta, Pascual; Passarelli, Vincenzo; Pérez-Prieto, Julia; Sanaú, Mercedes
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 13
• Pages of publication: 2290 - 2297
• a: 45.545 ± 0.006 Å
• b: 13.74 ± 0.002 Å
• c: 21.483 ± 0.003 Å
• α: 90°
• β: 112.994 ± 0.001°
• γ: 90°
• Cell volume: 12376 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.203
• Weighted residual factors for all reflections included in the refinement: 0.223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.276
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No