Information card for entry 1518330

Structure parameters

• Common name: [Zn(4-azpy)4(NCS)2]
• Formula: C22 H16 N18 S2 Zn
• Calculated formula: C22 H16 N18 S2 Zn
• Title of publication: Synthesis, characterization and luminescence properties of zinc(II) complexes of pseudohalides and nitrite derived from 4-azidopyridine
• Authors of publication: Mautner, Franz A.; Scherzer, Michael; Berger, Christian; Fischer, Roland C.; Massoud, Salah S.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 425
• Pages of publication: 46 - 51
• a: 19.0082 ± 0.0005 Å
• b: 7.8756 ± 0.0002 Å
• c: 20.9499 ± 0.0006 Å
• α: 90°
• β: 115.916 ± 0.001°
• γ: 90°
• Cell volume: 2820.83 ± 0.13 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: 0.1019
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No