Information card for entry 7213880

Structure parameters

• Formula: C25 H32 Cl2 N2 O2 Ru
• Calculated formula: C25 H32 Cl2 N2 O2 Ru
• SMILES: [Ru]12345(Cl)(Cl)([NH2]c6ccc(cc6)C(=O)Nc6ccccc6)[c]6(C(C)C)[cH]3[cH]5[c]2([cH]1[cH]46)C.OCC
• Title of publication: Hydrogen-bond networks in polymorphs and solvates of metallorganic complexes containing ruthenium and aminoamide ligands
• Authors of publication: Bacchi, A.; Cantoni, G.; Crocco, D.; Granelli, M.; Pagano, P.; Pelagatti, P.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 6
• Pages of publication: 1001
• a: 7.6649 ± 0.0009 Å
• b: 9.0707 ± 0.0011 Å
• c: 19.817 ± 0.002 Å
• α: 87.882 ± 0.002°
• β: 89.682 ± 0.002°
• γ: 70.084 ± 0.002°
• Cell volume: 1294.5 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0349
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No