Information card for entry 7023681

Structure parameters

• Formula: C18 H15 Br2 N3 Zn
• Calculated formula: C18 H15 Br2 N3 Zn
• SMILES: [Zn]12(Br)(Br)[n]3ccccc3C(=[N]1c1c([NH2]2)cccc1)c1ccccc1
• Title of publication: Zinc(ii), iron(ii/iii) and ruthenium(ii) complexes of o-phenylenediamine derivatives: oxidative dehydrogenation and photoluminescence.
• Authors of publication: Chaudhuri, Satyabrata; Patra, Sarat Chandra; Saha, Pinaki; Saha Roy, Amit; Maity, Suvendu; Bera, Sachinath; Saha Sardar, Pinki; Ghosh, Sanjib; Weyhermüller, Thomas; Ghosh, Prasanta
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 42
• Pages of publication: 15028 - 15042
• a: 13.338 ± 0.002 Å
• b: 8.4796 ± 0.0013 Å
• c: 17.982 ± 0.003 Å
• α: 90°
• β: 109.479 ± 0.006°
• γ: 90°
• Cell volume: 1917.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No