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Information card for entry 2228703
Preview
Coordinates | 2228703.cif |
---|---|
Structure factors | 2228703.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(2,6-dihydroxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(nitrato- κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')praseodymium(III) |
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Formula | C38 H26 N5 O11 Pr |
Calculated formula | C38 H26 N5 O11 Pr |
SMILES | [Pr]12345([O]=C(O1)c1c(O)cccc1O)([O]=C(O2)c1c(O)cccc1O)(ON(=[O]3)=O)([n]1cccc2c1c1[n]4cccc1cc2)[n]1cccc2c1c1[n]5cccc1cc2 |
Title of publication | Bis(2,6-dihydroxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')praseodymium(III) |
Authors of publication | Wang, Chiya; Gu, Xiaojin; Wang, Xinqing; Jin, Hongxiao |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 1 |
Pages of publication | m5 |
a | 11.2738 ± 0.0002 Å |
b | 26.8015 ± 0.0005 Å |
c | 14.3886 ± 0.0004 Å |
α | 90° |
β | 127.934 ± 0.001° |
γ | 90° |
Cell volume | 3429.02 ± 0.14 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0379 |
Residual factor for significantly intense reflections | 0.0349 |
Weighted residual factors for significantly intense reflections | 0.0737 |
Weighted residual factors for all reflections included in the refinement | 0.0748 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.234 |
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/2228703.html
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