Information card for entry 7217298

Structure parameters

• Formula: C17 H20 Cl2 N2 Ru
• Calculated formula: C17 H20 Cl2 N2 Ru
• SMILES: [Ru]12345(Cl)(Cl)([NH2]c6ccc(cc6)C#N)[c]6([cH]5[cH]4[c]3([cH]2[cH]16)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: 9.0285 ± 0.0015 Å
• b: 12.877 ± 0.002 Å
• c: 17.446 ± 0.003 Å
• α: 90°
• β: 119.823 ± 0.007°
• γ: 90°
• Cell volume: 1759.7 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.41
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No