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Information card for entry 2104287
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2104287.cif |
---|---|
Structure factors | 2104287.hkl |
Original IUCr paper | HTML |
Formula | C21 H37 N3 Na3 Nd O26 |
---|---|
Calculated formula | C21 H37 N3 Na3 Nd O26 |
SMILES | [Nd]123456(OC(=O)c7[n]4c(ccc7)C(=O)O1)(OC(=O)c1[n]5c(ccc1)C(=O)O2)OC(=O)c1[n]6c(ccc1)C(=O)O3.[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | Crystallochemical formula as a tool for describing metal‒ligand complexes ‒ a pyridine-2,6-dicarboxylate example |
Authors of publication | Serezhkin, Viktor N.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Smirnova, Ekaterina S.; Grachova, Elena V.; Ostrova, Polina V.; Antipin, Mikhail Yu. |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 1 |
Pages of publication | 45 - 53 |
a | 10.28 ± 0.0005 Å |
b | 10.996 ± 0.0005 Å |
c | 17.1772 ± 0.0008 Å |
α | 73.761 ± 0.001° |
β | 77.597 ± 0.0009° |
γ | 72.899 ± 0.001° |
Cell volume | 1763.12 ± 0.14 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0318 |
Residual factor for significantly intense reflections | 0.028 |
Weighted residual factors for significantly intense reflections | 0.0656 |
Weighted residual factors for all reflections included in the refinement | 0.0678 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2104287.html
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Users of the data should acknowledge the original authors of the
structural data.