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Information card for entry 4319661
Preview
| Coordinates | 4319661.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H82 I N6 Rh |
|---|---|
| Calculated formula | C64 H82 I N6 Rh |
| Title of publication | Rh(III) Porphyrins as Building Blocks for Porphyrin Coordination Arrays: From Dimers to Heterometallic Undecamers |
| Authors of publication | James E. Redman; Neil Feeder; Simon J. Teat; Jeremy K. M. Sanders |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 2486 - 2499 |
| a | 14.653 ± 0.001 Å |
| b | 23.1722 ± 0.0017 Å |
| c | 34.574 ± 0.003 Å |
| α | 90° |
| β | 96.673 ± 0.005° |
| γ | 90° |
| Cell volume | 11659.8 ± 1.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1536 |
| Residual factor for significantly intense reflections | 0.1219 |
| Weighted residual factors for significantly intense reflections | 0.2761 |
| Weighted residual factors for all reflections included in the refinement | 0.2892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.6923 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179276 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/96. |
4319661.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319661.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319661.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4319661.cif |
| 16462 | 2011-03-24 | ../uploads/cif-deposit/cod/cif Adding structures of 4319661 via cif-deposit CGI script. |
4319661.cif |
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Users of the data should acknowledge the original authors of the
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