Information card for entry 8105153

Structure parameters

• Formula: C18 H16 N10 O2 Zn
• Calculated formula: C18 H16 N10 O2 Zn
• SMILES: [Zn]1234(OC(=N[N]2=C(c2[n]1ccnc2)C)CC#N)OC(=N[N]4=C(c1[n]3ccnc1)C)CC#N
• Title of publication: Crystal structure of bis-[N-(1-pyrazin-2-yl-ethylidene)-cyanoacetic acid-hydrazonato-κ3 O,N,N′)]-zinc(II), C18H16N10O2Zn
• Authors of publication: Gao, Xiao-Li; Geng, Rong-Li; Chen, Pai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 2
• Pages of publication: 503 - 504
• a: 10.218 ± 0.007 Å
• b: 10.49 ± 0.007 Å
• c: 11.101 ± 0.008 Å
• α: 79.59 ± 0.011°
• β: 65.913 ± 0.012°
• γ: 66.785 ± 0.01°
• Cell volume: 998 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0695
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No