Information card for entry 7233701

Structure parameters

• Formula: C16 H16 N14 Ni O7
• Calculated formula: C16 H16 N14 Ni O7
• SMILES: [Ni]123(ON(=O)=O)([n]4c(cccc4c4[n]1c(nc(n4)N)N)c1[n]2c(ccc1)c1[n]3c(nc(n1)N)N)[OH2].N(=O)(=O)[O-]
• Title of publication: Mimicking 2,2′:6′,2′′:6′′,2′′′-quaterpyridine complexes for the light-driven hydrogen evolution reaction: synthesis, structural, thermal and physicochemical characterizations
• Authors of publication: Rajak, Sanil; Schott, Olivier; Kaur, Prabhjyot; Maris, Thierry; Hanan, Garry S.; Duong, Adam
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 48
• Pages of publication: 28153
• a: 9.6118 ± 0.0005 Å
• b: 11.7609 ± 0.0006 Å
• c: 14.1181 ± 0.0008 Å
• α: 95.139 ± 0.003°
• β: 91.02 ± 0.003°
• γ: 113.356 ± 0.002°
• Cell volume: 1456.81 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No