Information card for entry 4078717

Structure parameters

• Formula: C36 H42 Mo2 N6 O28
• Calculated formula: C36 H42 Mo2 N6 O27.98
• Title of publication: Generation of Carbon Monoxide Releasing Molecules (CO-RMs) as Drug Candidates for the Treatment of Acute Liver Injury: Targeting of CO-RMs to the Liver
• Authors of publication: Marques, Ana R.; Kromer, Lukas; Gallo, David J.; Penacho, Nuno; Rodrigues, Sandra S.; Seixas, João D.; Bernardes, Gonçalo J. L.; Reis, Patrícia M.; Otterbein, Sherrie L.; Ruggieri, Rachel A.; Gonçalves, Ana S. G.; Gonçalves, Ana M. L.; Matos, Marta N. De; Bento, Isabel; Otterbein, Leo E.; Blättler, Walter A.; Romão, Carlos C.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 16
• Pages of publication: 5810
• a: 15.179 ± 0.014 Å
• b: 15.179 Å
• c: 47.282 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9434 ± 9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.2212
• Weighted residual factors for all reflections included in the refinement: 0.2434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No