Information card for entry 1512827

Structure parameters

• Formula: C44 H36 N8 O18 Zn2
• Calculated formula: C44 H36 N8 O18 Zn2
• SMILES: [Zn]12([O]=C(O[Zn]3([O]=C(O1)c1cc(cc(c1)C(=O)O)C(=O)[O-])([OH2])([OH2])[n]1cccc4c5[nH]cnc5c5ccc[n]3c5c14)c1cc(cc(c1)C(=O)O)C(=O)[O-])([OH2])([OH2])[n]1cccc3c1c1[n]2cccc1c1nc[nH]c31.O.O
• Title of publication: Syntheses, structures, and photoluminescence of a series of d10 coordination complexes from N,N'-bidentate imidazo[4,5-f][1,10]phenanthroline and benzene-1,3,5-tricarboxylic acid
• Authors of publication: Guang-Bo Che; Shan-Shan Wang; Xiao-Lin Zha; Xiu-Ying Li; Chun-Bo Liu; Xing-Jing Zhang; Zhan-Lin Xu; Qing-Wei Wang
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 394
• Pages of publication: 481 - 487
• a: 8.5875 ± 0.0017 Å
• b: 9.0836 ± 0.0018 Å
• c: 14.313 ± 0.003 Å
• α: 82.15 ± 0.03°
• β: 87.49 ± 0.03°
• γ: 73.34 ± 0.03°
• Cell volume: 1059.6 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0353
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No