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Information card for entry 2018239
Preview
Coordinates | 2018239.cif |
---|---|
Structure factors | 2018239.hkl |
Original IUCr paper | HTML |
Common name | Nickel FDA |
---|---|
Chemical name | Hexaaquanickel(ii) (2,5-furandicarboxylate) |
Formula | C6 H14 Ni O11 |
Calculated formula | C6 H14 Ni O11 |
SMILES | [Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].C(=O)([O-])c1oc(cc1)C(=O)[O-] |
Title of publication | Magnesium and nickel(II) furan-2,5-dicarboxylate |
Authors of publication | Schau-Magnussen, Magnus; Gorbanev, Yury Y.; Kegnæs, Søren; Riisager, Anders |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 10 |
Pages of publication | m327 - m330 |
a | 9.2242 ± 0.0005 Å |
b | 18.4255 ± 0.0009 Å |
c | 6.5942 ± 0.0008 Å |
α | 90° |
β | 102.066 ± 0.006° |
γ | 90° |
Cell volume | 1095.99 ± 0.16 Å3 |
Cell temperature | 122 ± 1 K |
Ambient diffraction temperature | 122 ± 1 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 | 0.0411 |
Residual factor for significantly intense reflections | 0.0281 |
Weighted residual factors for significantly intense reflections | 0.0561 |
Weighted residual factors for all reflections included in the refinement | 0.0601 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
180851 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/82. |
2018239.cif 2018239.hkl |
176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018239.cif 2018239.hkl |
125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018239.cif 2018239.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. | 2018239.cif 2018239.hkl |
29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2018239.cif 2018239.hkl |
28963 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2018238, 2018239 via cif-deposit CGI script. |
2018239.cif |
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