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Information card for entry 7206246
Preview
Coordinates | 7206246.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C76 H50 In2 N4 O16 |
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Calculated formula | C76 H50 In2 N4 O16 |
SMILES | C(=O)(O[In]123([O]=C(O2)c2c(c4c(C(=O)O[In]56([O]=C(O6)c6c(c7c(C(=O)O3)cccc7)cccc6)([n]3ccccc3c3[n]5cccc3)OC(=O)c3ccccc3c3ccccc3C(=O)O)cccc4)cccc2)[n]2ccccc2c2[n]1cccc2)c1ccccc1c1ccccc1C(=O)O |
Title of publication | Three novel indium MOFs derived from diphenic acid: synthesis, crystal structures and supramolecular chemistry |
Authors of publication | Platero-Prats, Ana E.; Bernini, María C.; Medina, Manuela E.; López-Torres, Elena; Gutiérrez-Puebla, Enrique; Ángeles Monge, M.; Snejko, Natalia |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 15 |
Pages of publication | 4965 |
a | 10.6135 ± 0.0012 Å |
b | 11.6513 ± 0.0013 Å |
c | 14.0949 ± 0.0015 Å |
α | 75.745 ± 0.002° |
β | 68.609 ± 0.002° |
γ | 88.736 ± 0.002° |
Cell volume | 1568.5 ± 0.3 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 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 | 0.1009 |
Residual factor for significantly intense reflections | 0.0652 |
Weighted residual factors for significantly intense reflections | 0.0979 |
Weighted residual factors for all reflections included in the refinement | 0.1072 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7206246.html
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Users of the data should acknowledge the original authors of the
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