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Information card for entry 4502022
Preview
Coordinates | 4502022.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H21.25 Mn N1.25 O6.25 Si0.5 |
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Calculated formula | C14 H10 Mn O5 Si0.5 |
Title of publication | Structural Diversity in Metal−Organic Frameworks Built from Rigid Tetrahedral [Si(p-C6H4CO2)4]4−Struts |
Authors of publication | Davies, Robert P.; Less, Rob; Lickiss, Paul D.; Robertson, Karen; White, Andrew J. P. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2010 |
Journal volume | 10 |
Journal issue | 10 |
Pages of publication | 4571 |
a | 13.0355 ± 0.0018 Å |
b | 22.908 ± 0.004 Å |
c | 13.882 ± 0.004 Å |
α | 90° |
β | 93.07 ± 0.019° |
γ | 90° |
Cell volume | 4139.5 ± 1.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.0338 |
Residual factor for significantly intense reflections | 0.0294 |
Weighted residual factors for significantly intense reflections | 0.0863 |
Weighted residual factors for all reflections included in the refinement | 0.0895 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
Diffraction radiation wavelength | 1.54248 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4502022.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4502022.cif |
36205 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4502021, 4502022, 4502023, 4502024, 4502025, 4502026 via cif-deposit CGI script. |
4502022.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.