Information card for entry 2239754

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc(II)]-μ~2~-imidazol-1-ido-κ^2^<i>N</i>:<i>N</i>'] nitrate]
• Formula: C9 H11 N7 O3 Zn
• Calculated formula: C9 H11 N7 O3 Zn
• SMILES: [Zn]([n]1c[nH]cc1)([n]1c[nH]cc1)(n1ccnc1)[n]1cn([Zn]([n]2c[nH]cc2)[n]2c[nH]cc2)cc1.O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[[bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc(II)]-μ~2~-imidazol-1-ido-κ^2^<i>N</i>:<i>N</i>'] nitrate]
• Authors of publication: Govindhan, Elumalai; Ganeshraja, A. S.; Bhavana, B.; Anbalagan, Krishnamoorthy; SubbiahPandi, Arunachalam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: m298 - m299
• a: 12.1812 ± 0.001 Å
• b: 10.0713 ± 0.0007 Å
• c: 11.3628 ± 0.001 Å
• α: 90°
• β: 91.011 ± 0.008°
• γ: 90°
• Cell volume: 1393.78 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes