Information card for entry 4086308

Structure parameters

• Formula: C27 H32 Cl N2 O2 Rh
• Calculated formula: C27 H32 Cl N2 O2 Rh
• SMILES: c1(cc2c(cc1)C=[N](c1ccc(cc1)C(C)(C)C)[Rh]13452([c]2([c]1([c]3([c]4([c]52C)C)C)C)C)Cl)N(=O)=O
• Title of publication: Synthesis, Structure, DNA/Protein Binding, and Anticancer Activity of Some Half-Sandwich Cyclometalated Rh(III) and Ir(III) Complexes
• Authors of publication: Mukhopadhyay, Sujay; Gupta, Rakesh Kumar; Paitandi, Rajendra Prasad; Rana, Nishant Kumar; Sharma, Gunjan; Koch, Biplob; Rana, Love Karan; Hundal, Maninder Singh; Pandey, Daya Shankar
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 18
• Pages of publication: 4491
• a: 8.337 ± 0.002 Å
• b: 12.012 ± 0.004 Å
• c: 13.615 ± 0.004 Å
• α: 100.444 ± 0.012°
• β: 98.346 ± 0.012°
• γ: 98.46 ± 0.012°
• Cell volume: 1305.4 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0329
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No