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Information card for entry 1505764
Preview
Coordinates | 1505764.cif |
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Original paper (by DOI) | HTML |
Formula | C52 H72 Cu2 N8 O22 S4 |
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Calculated formula | C52 H72 Cu2 N8 O22 S4 |
Title of publication | Coordination symmetry-dependent structure restoration function of one-dimensional MOFs by molecular respiration. |
Authors of publication | Kondo, Atsushi; Noguchi, Hiroshi; Kajiro, Hiroshi; Carlucci, Lucia; Mercandelli, Pierluigi; Proserpio, Davide M.; Tanaka, Hideki; Kaneko, Katsumi; Kanoh, Hirofumi |
Journal of publication | The journal of physical chemistry. B |
Year of publication | 2006 |
Journal volume | 110 |
Journal issue | 51 |
Pages of publication | 25565 - 25567 |
a | 24.3572 ± 0.0008 Å |
b | 7.9688 ± 0.0002 Å |
c | 17.4501 ± 0.0006 Å |
α | 90° |
β | 105.172 ± 0.001° |
γ | 90° |
Cell volume | 3268.97 ± 0.18 Å3 |
Cell temperature | 295 K |
Ambient diffraction temperature | 295 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0528 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.1272 |
Weighted residual factors for all reflections included in the refinement | 0.133 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.909 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1505764.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505764.cif |
47713 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505764 via cif-deposit CGI script. |
1505764.cif |
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Users of the data should acknowledge the original authors of the
structural data.