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Information card for entry 2228566
Preview
Coordinates | 2228566.cif |
---|---|
Structure factors | 2228566.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(μ-2,2'-{[4-(carboxymethoxy)phenyl]azanediyl}diacetato)bis[(1,10- phenanthroline)copper(II)] |
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Formula | C48 H38 Cu2 N6 O14 |
Calculated formula | C48 H38 Cu2 N6 O14 |
SMILES | C(=O)(COc1ccc(cc1)[N]12CC(=O)[O]3[Cu]41([n]1c5c6[n]4cccc6ccc5ccc1)(OC(=O)C2)[O]1C(=O)C[N]2(c4ccc(cc4)OCC(=O)O)CC(=O)O[Cu]4312[n]1c2c3[n]4cccc3ccc2ccc1)O |
Title of publication | Bis(μ-2,2'-{[4-(carboxymethoxy)phenyl]azanediyl}diacetato)bis[(1,10-phenanthroline)copper(II)] |
Authors of publication | Zhao, Yan; Pan, Tonghen; Chen, Zhitao |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 12 |
Pages of publication | m1670 - m1671 |
a | 8.741 ± 0.0017 Å |
b | 10.886 ± 0.002 Å |
c | 22.239 ± 0.004 Å |
α | 90° |
β | 90.85 ± 0.03° |
γ | 90° |
Cell volume | 2115.9 ± 0.7 Å3 |
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 | 0.0632 |
Residual factor for significantly intense reflections | 0.0587 |
Weighted residual factors for significantly intense reflections | 0.1014 |
Weighted residual factors for all reflections included in the refinement | 0.1033 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.246 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181206 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/85. |
2228566.cif 2228566.hkl |
176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228566.cif 2228566.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228566.cif 2228566.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. | 2228566.cif 2228566.hkl |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228566.cif 2228566.hkl |
11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228566.cif 2228566.hkl |
5800 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228562, 2228563, 2228564, 2228565, 2228566, 2228567, 2228568, 2228569, 2228570, 2228571 via cif-deposit CGI script. |
2228566.cif |
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Users of the data should acknowledge the original authors of the
structural data.