Information card for entry 1558868

Structure parameters

• Formula: C12 H24 Mg N2 O14
• Calculated formula: C12 H24 Mg N2 O14
• SMILES: c1(ccc(cc1)N(=O)=O)[O-].[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.c1(ccc(cc1)N(=O)=O)[O-].O
• Title of publication: Accelerated Reduction of 4-Nitrophenol: Bridging Interaction Outplays Reducing Power in the Model Nanoparticle-Catalyzed Reaction
• Authors of publication: Shirin, Shana; Roy, Soumendu; Rao, Anish; Pillai, Pramod P.
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2020
• Journal volume: 124
• Journal issue: 35
• Pages of publication: 19157 - 19165
• a: 12.3698 ± 0.0015 Å
• b: 6.6167 ± 0.0008 Å
• c: 11.7758 ± 0.0014 Å
• α: 90°
• β: 93.553 ± 0.003°
• γ: 90°
• Cell volume: 962 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No