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Information card for entry 2228543
Preview
Coordinates | 2228543.cif |
---|---|
Structure factors | 2228543.hkl |
Original IUCr paper | HTML |
Chemical name | Dichlorido{1-[(2-hydroxyethyl)iminomethyl]-2-naphtholato}pyridineiron(III) pyridine monosolvate |
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Formula | C23 H22 Cl2 Fe N3 O2 |
Calculated formula | C23 H22 Cl2 Fe N3 O2 |
SMILES | [Fe]12(Cl)(Cl)([N](CC[OH]1)=Cc1c(O2)ccc2c1cccc2)[n]1ccccc1.n1ccccc1 |
Title of publication | Dichlorido{1-[(2-hydroxyethyl)iminomethyl]-2-naphtholato}pyridineiron(III) pyridine monosolvate |
Authors of publication | Liu, Shizheng; Yang, Jie; Lv, Lei; Li, Dacheng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 12 |
Pages of publication | m1585 |
a | 7.859 ± 0.0006 Å |
b | 10.0153 ± 0.0011 Å |
c | 14.4884 ± 0.0016 Å |
α | 90° |
β | 90.123 ± 0.001° |
γ | 90° |
Cell volume | 1140.4 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0364 |
Residual factor for significantly intense reflections | 0.032 |
Weighted residual factors for significantly intense reflections | 0.0801 |
Weighted residual factors for all reflections included in the refinement | 0.0845 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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. |
2228543.cif 2228543.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. |
2228543.cif 2228543.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228543.cif 2228543.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. | 2228543.cif 2228543.hkl |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228543.cif 2228543.hkl |
11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228543.cif 2228543.hkl |
5798 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228542, 2228543, 2228544, 2228545, 2228546, 2228547, 2228548, 2228549, 2228550, 2228551 via cif-deposit CGI script. |
2228543.cif |
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Users of the data should acknowledge the original authors of the
structural data.