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Information card for entry 4504653
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Coordinates | 4504653.cif |
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Original paper (by DOI) | HTML |
Chemical name | cis,cis-1,3,5-cyclohexanetricarboxylic acid - 18-crown-6 |
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Formula | C2.5 H4 O1.5 |
Calculated formula | C2.5 H4 O1.5 |
Title of publication | Influence of the Ammonium Cation and 18-Crown-6 Guest on the Supramolecular Networks of 1,3,5-Cyclohexanetricarboxylic Acid |
Authors of publication | Bhogala, Balakrishna R.; Nangia, Ashwini |
Journal of publication | Crystal Growth & Design |
Year of publication | 2006 |
Journal volume | 6 |
Journal issue | 1 |
Pages of publication | 32 - 35 |
a | 16.5374 ± 0.0008 Å |
b | 16.5374 ± 0.0008 Å |
c | 11.583 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 2743.4 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 3 |
Space group number | 166 |
Hermann-Mauguin space group symbol | R -3 m :H |
Hall space group symbol | -R 3 2" |
Residual factor for all reflections | 0.0858 |
Residual factor for significantly intense reflections | 0.054 |
Weighted residual factors for significantly intense reflections | 0.1245 |
Weighted residual factors for all reflections included in the refinement | 0.1413 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
211127 (current) | 2018-09-23 | cif/4/ Updating bibliography in entries 4504651-4504653, 4511531. Marking entry 4511531 as a duplicate of entry 4504651. |
4504653.cif |
176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4504653.cif |
120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504653.cif |
47457 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4504653 via cif-deposit CGI script. |
4504653.cif |
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Users of the data should acknowledge the original authors of the
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