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Information card for entry 4115645
Preview
Coordinates | 4115645.cif |
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Original paper (by DOI) | HTML |
Common name | none |
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Formula | C2 H4 F2 Mo0.5 N O2 Zn0.5 |
Calculated formula | C2 H4 F2 Mo0.5 N O2 Zn0.5 |
Title of publication | Understanding the Role of Helical Chains in the Formation of Noncentrosymmetric Solids |
Authors of publication | Paul A. Maggard; Charlotte L. Stern; Kenneth R. Poeppelmeier |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2001 |
Journal volume | 123 |
Pages of publication | 7742 - 7743 |
a | 7.225 ± 0.0006 Å |
b | 7.225 ± 0.0006 Å |
c | 16.438 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 743.11 ± 0.13 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 7 |
Space group number | 152 |
Hermann-Mauguin space group symbol | P 31 2 1 |
Hall space group symbol | P 31 2" |
Residual factor for all reflections | 0.0234 |
Residual factor for significantly intense reflections | 0.0229 |
Weighted residual factors for significantly intense reflections | 0.0549 |
Weighted residual factors for all reflections included in the refinement | 0.0556 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.553 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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. |
4115645.cif |
134573 | 2015-04-01 | cod/ (robertas@burundukas) The 'cif_fix_values' script was applied on the CIF files, which had notes in the COD database's table 'validations' generated by the 'cif_validate' validator about misspelling of the enumerable values of the data item '_symmetry_cell_setting'. There was used the option '--fix-only-misspelled'. And there were used 'cif_filter' later in the pipe. Read the log for more details. There were 595 distinct CIF files which had messages from validator. The 'cif_fix_values' script generated 417 messages about corrected misspelled values of enumerators to the log file. Some messages were generated by 'cif_filter' and some changes by the 'cif_filter' were done without messaging to the log file. The 'cif_fix_value' script corrected the enumerators of all data items presented in the file for the replacement of the misspelled values. |
4115645.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4115645.cif |
69247 | 2012-12-04 | cif/ Adding structures of 4115645 via cif-deposit CGI script. |
4115645.cif |
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Users of the data should acknowledge the original authors of the
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