Information card for entry 2228273

Structure parameters

• Chemical name: <i>trans</i>-Bis(4,7-diphenyl-1,10-phenanthroline- κ^2^<i>N</i>,<i>N'</i>)bis(nitrato-κ^2^<i>O</i>,<i>O'</i>)zinc(II)
• Formula: C48 H32 N6 O6 Zn
• Calculated formula: C48 H32 N6 O6 Zn
• SMILES: c1cc(c2c3[n]1[Zn]1([n]4c3c(cc2)c(cc4)c2ccccc2)[n]2c3c4c(c(cc[n]14)c1ccccc1)ccc3c(cc2)c1ccccc1)c1ccccc1.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: <i>trans</i>-Bis(4,7-diphenyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(nitrato-κ^2^<i>O</i>,<i>O</i>')zinc(II)
• Authors of publication: Fernandes, José A.; Almeida Paz, Filipe A.; Liu, Feng-Yi; Cunha-Silva, Luís; Carlos, Luís D.; Rocha, João
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1608 - m1609
• a: 20.5074 ± 0.0004 Å
• b: 17.4116 ± 0.0003 Å
• c: 12.7089 ± 0.0003 Å
• α: 90°
• β: 124.035 ± 0.001°
• γ: 90°
• Cell volume: 3760.56 ± 0.14 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes