Information card for entry 7217301

Structure parameters

• Formula: C18 H23 Cl2 N O2 Ru
• Calculated formula: C18 H23 Cl2 N O2 Ru
• SMILES: [Ru]12345(Cl)(Cl)([NH2]c6ccc(cc6)C(=O)OC)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C
• Title of publication: Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes
• Authors of publication: Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 38
• Pages of publication: 9125
• a: 7.8773 ± 0.0016 Å
• b: 9.0893 ± 0.0019 Å
• c: 14.82 ± 0.003 Å
• α: 87.187 ± 0.004°
• β: 83.837 ± 0.003°
• γ: 70.569 ± 0.003°
• Cell volume: 994.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0556
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.427
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No