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Information card for entry 2234689
Preview
Coordinates | 2234689.cif |
---|---|
Structure factors | 2234689.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[(aquadimethanolzinc)-μ-furan-2,5- dicarboxylato-κ^3^<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^2'^] |
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Formula | C8 H12 O8 Zn |
Calculated formula | C8 H12 O8 Zn |
SMILES | [Zn]1(OC(=[O]1)c1oc(cc1)C(=O)[O-])([OH2])([OH]C)([OH]C)[O]1[Zn]([O]=C1c1oc(cc1)C(=O)[O])([OH2])([OH]C)[OH]C |
Title of publication | <i>catena</i>-Poly[(aquadimethanolzinc)-μ-furan-2,5-dicarboxylato-κ^3^<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^2'^] |
Authors of publication | Li, Ya-Feng; Gao, Yue; Xu, Yue; Qin, Xiao-Lin; Gao, Wen-Yuan |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 5 |
Pages of publication | m595 |
a | 10.077 ± 0.002 Å |
b | 8.1235 ± 0.0016 Å |
c | 17.101 ± 0.003 Å |
α | 90° |
β | 124.86 ± 0.03° |
γ | 90° |
Cell volume | 1148.7 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1123 |
Residual factor for significantly intense reflections | 0.0616 |
Weighted residual factors for significantly intense reflections | 0.1252 |
Weighted residual factors for all reflections included in the refinement | 0.142 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181268 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/46. |
2234689.cif 2234689.hkl |
176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2234689.cif 2234689.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234689.cif 2234689.hkl |
88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2234689.cif 2234689.hkl |
66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234689.cif 2234689.hkl |
60180 | 2012-06-14 | cif/ Adding structures of 2234689 via cif-deposit CGI script. |
2234689.cif |
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Users of the data should acknowledge the original authors of the
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