Information card for entry 7015636

Structure parameters

• Formula: C20 H29 Cl N6 O3 Ru
• Calculated formula: C20 H29 Cl N6 O3 Ru
• SMILES: [Ru]1234567([n]8n(ccc8)C(n8[n]1ccc8)n1[n]2ccc1)[c]1([cH]7[cH]6[c]5([cH]4[cH]31)C(C)C)C.[Cl-].O.O.O
• Title of publication: Synthesis, characterization, crystal structure and preliminary reactivity behaviour of new heteropolytopic ligands based on the 1,3,5-triazine spacer and pyrazolyl, tris-pyrazolylmethyl and tris-pyrazolylethoxy bonding fragments.
• Authors of publication: Di Nicola, C.; Garau, F.; Marchetti, F.; Monari, M.; Pandolfo, L.; Pettinari, C.; Venzo, A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 18
• Pages of publication: 4941 - 4953
• a: 10.8075 ± 0.001 Å
• b: 11.1046 ± 0.0011 Å
• c: 12.2293 ± 0.0015 Å
• α: 64.71 ± 0.001°
• β: 87.819 ± 0.001°
• γ: 62.456 ± 0.001°
• Cell volume: 1153.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No