Information card for entry 2210319

Structure parameters

• Chemical name: Bis(2-aminonaphthalene-1-sulfonato-κO)bis(1,10-phenanthroline)zinc(II)
• Formula: C44 H32 N6 O6 S2 Zn
• Calculated formula: C44 H32 N6 O6 S2 Zn
• SMILES: O=S(=O)(O[Zn]12([n]3c4c5c(ccc4ccc3)ccc[n]15)([n]1c3c4c(ccc3ccc1)ccc[n]24)OS(=O)(=O)c1c(N)ccc2ccccc12)c1c(N)ccc2ccccc12
• Title of publication: Bis(2-aminonaphthalene-1-sulfonato-κ<i>O</i>)bis(1,10-phenanthroline)zinc(II)
• Authors of publication: Pei-Xia Dai; Jian-Hua Guo; En-Cui Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2096 - m2098
• a: 12.4631 ± 0.0007 Å
• b: 12.4631 ± 0.0007 Å
• c: 24.538 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3811.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes