Information card for entry 2220955

Structure parameters

• Chemical name: Diaquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) 2-hydroxy-5-sulfonatobenzoate tetrahydrate
• Formula: C31 H32 N4 O12 S Zn
• Calculated formula: C31 H32 N4 O12 S Zn
• Title of publication: Diaquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) 2-hydroxy-5-sulfonatobenzoate tetrahydrate
• Authors of publication: Zhang, Kou-Lin; Yang, Bo; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m239 - m240
• a: 10.075 ± 0.001 Å
• b: 12.263 ± 0.001 Å
• c: 13.927 ± 0.001 Å
• α: 96.937 ± 0.002°
• β: 101.495 ± 0.002°
• γ: 98.856 ± 0.002°
• Cell volume: 1645.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes