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Information card for entry 7216487
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Coordinates | 7216487.cif |
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Original paper (by DOI) | HTML |
Chemical name | [(±)-2,7,12-tripropoxy-3,8,13-tris(4-pyridylcarboxy)-10,15- dihydro-5H-tribenzo[a,d,g]cyclononene]silver (I) cobalt(III) bis(dicarbollide) hydrate dimethylformamide |
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Formula | C59.5 H86.5 Ag B18 Co N5.5 O12.5 |
Calculated formula | C59.5 H84.5 Ag B18 Co N5.5 O12.5 |
Title of publication | Tuning the coordination chemistry of cyclotriveratrylene ligand pairs through alkyl chain aggregation |
Authors of publication | Henkelis, James J.; Hardie, Michaele J. |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 35 |
Pages of publication | 8138 |
a | 10.324 ± 0.003 Å |
b | 18.828 ± 0.005 Å |
c | 21.852 ± 0.006 Å |
α | 69.016 ± 0.006° |
β | 84.428 ± 0.01° |
γ | 75.039 ± 0.01° |
Cell volume | 3831.4 ± 1.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0885 |
Residual factor for significantly intense reflections | 0.0807 |
Weighted residual factors for significantly intense reflections | 0.2334 |
Weighted residual factors for all reflections included in the refinement | 0.2426 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation wavelength | 0.6889 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7216487.cif |
123384 | 2014-09-08 | cif/ Updating files of 7216487, 7216488, 7216489, 7216490 Original log message: Adding full bibliography for 7216487--7216490.cif. |
7216487.cif |
116413 | 2014-06-11 | cif/ Adding structures of 7216487, 7216488, 7216489, 7216490 via cif-deposit CGI script. |
7216487.cif |
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Users of the data should acknowledge the original authors of the
structural data.