Information card for entry 4306308

Structure parameters

• Formula: C17 H24 Cl2 N4 O Ru
• Calculated formula: C17 H24 Cl2 N4 O Ru
• SMILES: [Ru]123456(Cl)([n]7n(ccc7)Cn7[n]3ccc7)[cH]3[cH]1[c]6([cH]4[cH]5[c]23C(C)C)C.[Cl-].O
• Title of publication: Synthesis and Intramolecular and Interionic Structural Characterization of Half-Sandwich (Arene)Ruthenium(II) Derivatives of Bis(Pyrazolyl)Alkanes
• Authors of publication: Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Adele Cerquetella; Corrado Di Nicola; Alceo Macchioni; Daniele Zuccaccia; Magda Monari; Fabio Piccinelli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11593 - 11603
• a: 26.5531 ± 0.0009 Å
• b: 10.2129 ± 0.0003 Å
• c: 14.9574 ± 0.0005 Å
• α: 90°
• β: 96.249 ± 0.001°
• γ: 90°
• Cell volume: 4032.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0255
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No