Information card for entry 4349468

Structure parameters

• Formula: C40 H39 N9 O15 Zn2
• Calculated formula: C40 H39 N9 O15 Zn2
• SMILES: [Zn]123(OC(=O)C[NH]2CC2=[O][Zn]45([O]12)([n]1cccc2ccc6ccc[n]5c6c12)[n]1cccc2ccc5ccc[n]4c5c12)(ON(=O)=O)[n]1cccc2ccc4ccc[n]3c4c12.O.O.O=N(=O)[O-].O.O.O
• Title of publication: An asymmetric binuclear zinc(ii) complex with mixed iminodiacetate and phenanthroline ligands: synthesis, characterization, structural conversion and anticancer properties
• Authors of publication: Ni, Lubin; Wang, Juan; Liu, Chang; Fan, Jinhong; Sun, Yun; Zhou, Zhaohui; Diao, Guowang
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 7
• Pages of publication: 959
• a: 12.5947 ± 0.0002 Å
• b: 15.1874 ± 0.0003 Å
• c: 21.5308 ± 0.0004 Å
• α: 90°
• β: 92.498 ± 0.002°
• γ: 90°
• Cell volume: 4114.51 ± 0.13 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0538
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No