Information card for entry 2232776

Structure parameters

• Chemical name: Tetraaquabis[<i>N</i>,<i>N</i>'-bis(pyridin-3-ylmethylidene)benzene-1,4- diamine]zinc dinitrate 1.49-hydrate
• Formula: C36 H38.98 N10 O11.49 Zn
• Calculated formula: C36 H38.976 N10 O11.488 Zn
• Title of publication: Tetraaquabis[<i>N</i>,<i>N</i>'-bis(pyridin-3-ylmethylidene)benzene-1,4-diamine]zinc dinitrate 1.49-hydrate
• Authors of publication: Kong, Li; Yu, Haihui; Zhang, Jibo; Cui, Weiyi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1752
• a: 8.5664 ± 0.0017 Å
• b: 9.928 ± 0.002 Å
• c: 12.496 ± 0.003 Å
• α: 81.47 ± 0.03°
• β: 71.55 ± 0.03°
• γ: 78.78 ± 0.03°
• Cell volume: 984.5 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0523
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes