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Information card for entry 2221107
Preview
Coordinates | 2221107.cif |
---|---|
Structure factors | 2221107.hkl |
Original IUCr paper | HTML |
Chemical name | Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)bis(4- formylbenzoato-κ<i>O</i>^1^)manganese(II) |
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Formula | C36 H42 Mn N4 O10 |
Calculated formula | C36 H42 Mn N4 O10 |
SMILES | C(=O)(c1ccc(cc1)C=O)O[Mn]([n]1cccc(c1)C(=O)N(CC)CC)([OH2])([n]1cccc(c1)C(=O)N(CC)CC)(OC(=O)c1ccc(cc1)C=O)[OH2] |
Title of publication | Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)bis(4-formylbenzoato-κ<i>O</i>^1^)manganese(II) |
Authors of publication | Sertçelik, Mustafa; Tercan, Barış; Şahin, Ertan; Necefoğlu, Hacali; Hökelek, Tuncer |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 3 |
Pages of publication | m324 - m325 |
a | 7.3266 ± 0.0002 Å |
b | 8.6618 ± 0.0002 Å |
c | 16.0687 ± 0.0003 Å |
α | 86.381 ± 0.008° |
β | 78.272 ± 0.007° |
γ | 68.618 ± 0.006° |
Cell volume | 929.67 ± 0.06 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0656 |
Residual factor for significantly intense reflections | 0.0576 |
Weighted residual factors for significantly intense reflections | 0.1508 |
Weighted residual factors for all reflections included in the refinement | 0.1572 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
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/2221107.html
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Users of the data should acknowledge the original authors of the
structural data.