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Information card for entry 4501712
Preview
Coordinates | 4501712.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H96 Mo6 N2 O43 |
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Calculated formula | C60 H94 Mo6 N2 O43 |
Title of publication | Supramolecular Architectures from Ammonium-Crown Ether Inclusion Complexes in Polyoxometalate Association: Synthesis, Structure, and Spectroscopy |
Authors of publication | Chatterjee, Tanmay; Sarma, Monima; Das, Samar K. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2010 |
Journal volume | 10 |
Journal issue | 7 |
Pages of publication | 3149 |
a | 16.4726 ± 0.0011 Å |
b | 23.9302 ± 0.0016 Å |
c | 12.1349 ± 0.0008 Å |
α | 90° |
β | 123.61 ± 0.001° |
γ | 90° |
Cell volume | 3983.8 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 12 |
Hermann-Mauguin space group symbol | C 1 2/m 1 |
Hall space group symbol | -C 2y |
Residual factor for all reflections | 0.0403 |
Residual factor for significantly intense reflections | 0.0378 |
Weighted residual factors for significantly intense reflections | 0.0944 |
Weighted residual factors for all reflections included in the refinement | 0.0956 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179548 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/17. |
4501712.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501712.cif |
36047 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4501708, 4501709, 4501710, 4501711, 4501712 via cif-deposit CGI script. |
4501712.cif |
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Users of the data should acknowledge the original authors of the
structural data.