Information card for entry 4086307

Structure parameters

• Formula: C29 H35 Cl N O2 Rh
• Calculated formula: C29 H35 Cl N O2 Rh
• SMILES: [c]12([c]3([c]4(C)[c]5(C)[c]1(C)[Rh]12345(c2cc(ccc2C=[N]1c1ccc(C(C)(C)C)cc1)C(=O)OC)Cl)C)C
• 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: 8.5769 ± 0.0012 Å
• b: 11.8151 ± 0.0016 Å
• c: 14.119 ± 0.002 Å
• α: 98.924 ± 0.006°
• β: 99.556 ± 0.006°
• γ: 101.077 ± 0.006°
• Cell volume: 1358.5 ± 0.3 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: 0.0405
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No