Information card for entry 2220331

Structure parameters

• Chemical name: (Croconato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')zinc(II)
• Formula: C29 H16 N4 O5 Zn
• Calculated formula: C29 H16 N4 O5 Zn
• SMILES: c1ccc2c3[n]1[Zn]14([n]5cccc6c5c5c(cc6)ccc[n]15)([n]1c3c(cc2)ccc1)OC1=C(O4)C(=O)C(=O)C1=O
• Title of publication: (Croconato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)
• Authors of publication: Chen, Hongyu; Li, Ping; Dong, Lihua; Zhu, Xiaohui; Fang, Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1507 - m1508
• a: 12.2605 ± 0.0004 Å
• b: 11.0133 ± 0.0003 Å
• c: 17.2745 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2332.55 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.278
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes