Information card for entry 7041928

Structure parameters

• Formula: C22 H18 N4 O2
• Calculated formula: C22 H18 N4 O2
• SMILES: c1(cc(ccn1)OCc1ncccc1)c1cc(ccn1)OCc1ncccc1
• Title of publication: Bipyridine based metallogels: an unprecedented difference in photochemical and chemical reduction in the in situ nanoparticle formation.
• Authors of publication: Tatikonda, Rajendhraprasad; Bertula, Kia; Nonappa, ?; Hietala, Sami; Rissanen, Kari; Haukka, Matti
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 2793 - 2802
• a: 3.8257 ± 0.0002 Å
• b: 9.9197 ± 0.0007 Å
• c: 11.9058 ± 0.0005 Å
• α: 77.653 ± 0.005°
• β: 89.013 ± 0.004°
• γ: 80.097 ± 0.006°
• Cell volume: 434.71 ± 0.04 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No