Information card for entry 8105562

Structure parameters

• Formula: C34 H34 N10 O9 Zn
• Calculated formula: C34 H34 N10 O9 Zn
• SMILES: [Zn]1([n]2ccc(cc2)/C=N/C2=C(C)N(C)N(C2=O)c2ccccc2)([n]2ccc(cc2)/C=N/C2=C(C)N(C)N(C2=O)c2ccccc2)(ON(=O)=O)(ON(=[O]1)=O)[OH2]
• Title of publication: Crystal structure of aqua-bis(1,5-dimethyl-2-phenyl-4-(((E)-4-pyridylmethylene)amino)pyrazolidin-3-one-κN)-(nitrato-κO)-(nitrato-κ2 O,O′)zinc(II), C34H34N10O9Zn
• Authors of publication: Pang, Haixia; Zou, Xiaoqing; Xu, Baoming; Zhang, Hong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 121 - 123
• a: 10.1188 ± 0.0013 Å
• b: 12.9297 ± 0.0016 Å
• c: 15.0668 ± 0.0019 Å
• α: 88.032 ± 0.002°
• β: 75.277 ± 0.002°
• γ: 72.888 ± 0.002°
• Cell volume: 1820.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0786
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No