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Information card for entry 2018488
Preview
Coordinates | 2018488.cif |
---|---|
Structure factors | 2018488.hkl |
Original IUCr paper | HTML |
Chemical name | <i>cis</i>-diaquachlorido(5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid-κ^4^<i>O</i>^2^,<i>N</i>,<i>N</i>',<i>O</i>^9^)manganese(II) chloride dihydrate |
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Formula | C14 H14 Cl2 Mn N2 O10 |
Calculated formula | C14 H14 Cl2 Mn N2 O10 |
SMILES | C1(c2ccc3c4c5c(C(=O)C3=O)ccc3C(=[O][Mn](Cl)([n]24)([n]53)([O]=1)([OH2])[OH2])O)O.[Cl-].O.O |
Title of publication | Synthesis and supramolecular networks of 5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid dihydrate and its first coordination compound <i>cis</i>-diaquachlorido(5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid-κ^4^<i>O</i>^2^,<i>N</i>,<i>N</i>',<i>O</i>^9^)manganese(II) chloride dihydrate |
Authors of publication | Jin, Shuang; Wen, Mei-Feng; Liu, Lu-Fang; Gao, Ming-Juan; Wu, Jian-Zhong |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 5 |
Pages of publication | m135 - m138 |
a | 17.195 ± 0.006 Å |
b | 12.411 ± 0.005 Å |
c | 17.569 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3749 ± 2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0962 |
Residual factor for significantly intense reflections | 0.0455 |
Weighted residual factors for significantly intense reflections | 0.1033 |
Weighted residual factors for all reflections included in the refinement | 0.1214 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
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/2018488.html
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