Information card for entry 7243707

Structure parameters

• Chemical name: heterobimetallc ruthenium gallate complex
• Formula: C51 H51 Cl2 Ga P2 Ru
• Calculated formula: C51 H51 Cl2 Ga P2 Ru
• SMILES: [Ru]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([P](c6ccccc6)(c6ccccc6)c6ccccc6)(C)[cH]6[cH]5[cH]4[cH]3[cH]2[cH]16.[Ga](Cl)(Cl)(C)C.c1ccccc1
• Title of publication: SO2 capture enhancement in NU-1000 by the incorporation of a ruthenium gallate organometallic complex
• Authors of publication: García Ponce, Jorge; Díaz-Ramírez, Mariana L.; Gorla, Saidulu; Navarathna, Chanaka; Sanchez-Lecuona, Gabriela; Donnadieu, Bruno; Ibarra, Ilich A.; Montiel-Palma, Virginia
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 42
• Pages of publication: 7479 - 7484
• a: 12.004 ± 0.002 Å
• b: 13.159 ± 0.002 Å
• c: 14.922 ± 0.002 Å
• α: 86.296 ± 0.004°
• β: 87.495 ± 0.006°
• γ: 71.75 ± 0.004°
• Cell volume: 2233.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0308
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No