Information card for entry 7217305

Structure parameters

• Formula: C17 H21 Cl2 N O2 Ru
• Calculated formula: C17 H21 Cl2 N O2 Ru
• SMILES: [Ru]12345(Cl)(Cl)([NH2]c6ccc(cc6)C(=O)OCCCC)[cH]6[cH]5[cH]4[cH]3[cH]2[cH]16
• 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: 6.6232 ± 0.0008 Å
• b: 8.5047 ± 0.001 Å
• c: 16.752 ± 0.002 Å
• α: 101.87 ± 0.002°
• β: 96.297 ± 0.003°
• γ: 98.447 ± 0.002°
• Cell volume: 903.83 ± 0.19 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: 0.1424
• Residual factor for significantly intense reflections: 0.1364
• Weighted residual factors for significantly intense reflections: 0.2832
• Weighted residual factors for all reflections included in the refinement: 0.2899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.334
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No