Information card for entry 1518328

Structure parameters

• Common name: [Zn(4-azpy)2(NCO)2]
• Formula: C12 H8 N10 O2 Zn
• Calculated formula: C12 H8 N10 O2 Zn
• SMILES: [Zn](N=C=O)(N=C=O)([n]1ccc(cc1)N=N#N)[n]1ccc(cc1)N=N#N
• 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: 5.5546 ± 0.0011 Å
• b: 9.0633 ± 0.0018 Å
• c: 15.527 ± 0.003 Å
• α: 74.72 ± 0.02°
• β: 80.86 ± 0.02°
• γ: 78.21 ± 0.02°
• Cell volume: 733.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0759
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No