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A computer program has been written that removes suspicious crystal structures from the Cambridge Structural Database and clusters the remaining crystal structures as polymorphs or redeterminations. For every set of redeterminations, one crystal structure is selected to be the best representative of that polymorph. The results, 243 355 well determined crystal structures grouped by unique polymorph, are presented and analysed.

Supporting information

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Text file https://doi.org/10.1107/S0108768106019677/ry5004sup1.txt
List of CSD refcodes that passed all the tests

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Text file https://doi.org/10.1107/S0108768106019677/ry5004sup2.txt
Clusters of CSD refcodes of redeterminations

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Text file https://doi.org/10.1107/S0108768106019677/ry5004sup3.txt
List of CSD refcodes of best representatives based on all H atoms present

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Text file https://doi.org/10.1107/S0108768106019677/ry5004sup4.txt
List of CSD refcodes of best representatives based on lowest temperature

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Text file https://doi.org/10.1107/S0108768106019677/ry5004sup5.txt
List of CSD refcodes of best representatives based on lowest R factor

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Text file https://doi.org/10.1107/S0108768106019677/ry5004sup6.txt
List of CSD refcodes of best representatives based on room temperature

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Text file https://doi.org/10.1107/S0108768106019677/ry5004sup7.txt
Number of determinations and polymorphs per CSD refcode family


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