Information card for entry 2243861

Structure parameters

• Chemical name: μ-Cyanido-κ^2^<i>C</i>:<i>N</i>-bis[(η^5^-cyclopentadienyl)bis(3,5,7-triazaphosphaadamantane-κ<i>P</i>)ruthenium(II)] tetrabromido(ethanol/methanol-κ<i>O</i>)nitrosylrhenate(II)
• Formula: C73 H126 Br8 N28 O4 P8 Re2 Ru4
• Calculated formula: C73 H126 Br8 N28 O4 P8 Re2 Ru4
• Title of publication: Crystal structure and magnetic study of the complex salt [RuCp(PTA)~2~‒μ-CN-1κ<i>C</i>:2κ<i>N</i>‒RuCp(PTA)~2~][Re(NO)Br~4~(EtOH)~0.5~(MeOH)~0.5~]
• Authors of publication: Pacheco, Mario; Alvarez, Natalia; Cuevas, Alicia; Romerosa, Antonio; Lloret, Francesc; Kremer, Carlos
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 7
• Pages of publication: 749 - 754
• a: 12.6027 ± 0.0004 Å
• b: 17.7075 ± 0.0006 Å
• c: 23.0252 ± 0.0009 Å
• α: 90°
• β: 101.914 ± 0.001°
• γ: 90°
• Cell volume: 5027.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes