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Information card for entry 2234877
Preview
Coordinates | 2234877.cif |
---|---|
Structure factors | 2234877.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[[aqua(4,4'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')zinc]-μ-3-chlorobenzene-1,2-dicaboxylato- κ^2^<i>O</i>^2^:<i>O</i>^3^] [[(4,4'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')zinc]-μ-3-chlorobenzene-1,2-dicaboxylato- κ^2^<i>O</i>^2^:<i>O</i>^3^]] |
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Formula | C40 H32 Cl2 N4 O9 Zn2 |
Calculated formula | C40 H32 Cl2 N4 O9 Zn2 |
SMILES | [Zn]1([OH2])([n]2c(c3[n]1ccc(c3)C)cc(cc2)C)OC(=O)c1c(c(Cl)ccc1)C(=O)O[Zn]1([OH2])([n]2c(c3[n]1ccc(c3)C)cc(cc2)C)OC(=O)c1c(c(Cl)ccc1)C(=O)[O-].[Zn]1([n]2ccc(C)cc2c2[n]1ccc(c2)C)OC(=O)c1c(c(Cl)ccc1)C(=O)O[Zn]1([n]2ccc(C)cc2c2[n]1ccc(c2)C)OC(=O)c1c(c(Cl)ccc1)C(=O)[O-] |
Title of publication | <i>catena</i>-Poly[[[aqua(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-3-chlorobenzene-1,2-dicaboxylato-κ^2^<i>O</i>^2^:<i>O</i>^3^] [[(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-3-chlorobenzene-1,2-dicaboxylato-κ^2^<i>O</i>^2^:<i>O</i>^3^]] |
Authors of publication | Zhu, Yu; Li, Hai-Yang; Ma, Ming-Li |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 5 |
Pages of publication | m574 - m575 |
a | 34.05 ± 0.004 Å |
b | 14.1831 ± 0.001 Å |
c | 7.8764 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3803.8 ± 0.6 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291.15 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0769 |
Residual factor for significantly intense reflections | 0.0561 |
Weighted residual factors for significantly intense reflections | 0.0964 |
Weighted residual factors for all reflections included in the refinement | 0.1041 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MOKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2234877.html
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