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Information card for entry 2240490
Preview
Coordinates | 2240490.cif |
---|---|
Structure factors | 2240490.hkl |
Original IUCr paper | HTML |
Chemical name | Aquabis[2-(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)aniline-κ<i>N</i>]zinc dinitrate |
---|---|
Formula | C26 H24 N8 O7 Zn |
Calculated formula | C26 H24 N8 O7 Zn |
SMILES | c12ccccc1[nH]c1[n]2[Zn]2([NH2]c3c1cccc3)([OH2])[n]1c3ccccc3[nH]c1c1ccccc1[NH2]2.N(=O)(=O)[O-].N(=O)(=O)[O-] |
Title of publication | Crystal structure of aquabis[2-(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)aniline-κ<i>N</i>]zinc dinitrate |
Authors of publication | Kim, Yongtae; Kang, Sung Kwon |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 4 |
Pages of publication | m85 - m86 |
a | 16.2892 ± 0.0009 Å |
b | 15.0782 ± 0.0008 Å |
c | 11.684 ± 0.0006 Å |
α | 90° |
β | 110.018 ± 0.0008° |
γ | 90° |
Cell volume | 2696.4 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0317 |
Residual factor for significantly intense reflections | 0.0273 |
Weighted residual factors for all reflections included in the refinement | 0.078 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240490.cif 2240490.hkl |
181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240490.cif 2240490.hkl |
176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240490.cif 2240490.hkl |
134011 | 2015-03-18 | cif/ hkl/ Adding structures of 2240490 via cif-deposit CGI script. |
2240490.cif 2240490.hkl |
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Users of the data should acknowledge the original authors of the
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