Information card for entry 4516121

Structure parameters

• Common name: A-rxn1 - 2016AN001ANP01
• Formula: C55 H54 B Br Cl9 F4 N5 O9 P2 Pd
• Calculated formula: C55 H54 B Br Cl9 F4 N5 O9 P2 Pd
• Title of publication: N-Heterocyclic Carbenes Derived from Guanosine: Synthesis and Evidences of Their Antiproliferative Activity.
• Authors of publication: Leitão, Maria Inês P S; Herrera, Federico; Petronilho, Ana
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 11
• Pages of publication: 15653 - 15656
• a: 14.1735 ± 0.0005 Å
• b: 14.6182 ± 0.0005 Å
• c: 17.4983 ± 0.0005 Å
• α: 110.609 ± 0.001°
• β: 92.046 ± 0.002°
• γ: 100.845 ± 0.002°
• Cell volume: 3312.32 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 10
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No