Information card for entry 7115691

Structure parameters

• Formula: C35 H76 Cl N13 O9 P4 Ru2
• Calculated formula: C104.834 H174 Cl3.0004 N39.166 O27 P12 Ru6
• Title of publication: Study of the interaction of water with the aqua-soluble dimeric complex [RuCp(PTA)2-mu-CN-1 kappa C:2 kappa^2^ N-RuCp(PTA)2](CF3SO3) (PTA = 1,3,5-triaza-7-phosphaadamantane) by neutron and X-ray diffraction in solution
• Authors of publication: Manuel Serrano-Ruiz; Silvia Imberti; Leonardo Bernasconi; Nazira Jadagayeva; Franco Scalambra; Antonio Romerosa
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 11587
• a: 14.5313 ± 0.0007 Å
• b: 17.5256 ± 0.0008 Å
• c: 18.3097 ± 0.0009 Å
• α: 66.927 ± 0.001°
• β: 73.12 ± 0.001°
• γ: 76.513 ± 0.001°
• Cell volume: 4067.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.1767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No