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Information card for entry 4309115
Preview
Coordinates | 4309115.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C106 H132 N4 Ni5 O24 S50 |
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Calculated formula | C106 H132 N4 Ni5 O24 S50 |
Title of publication | Magnetism of [Ni(dmit)2] Salts with [Meso- and (1S, 2S)-Diphenyl-1,2-Ethanediammonium]([18]crown-6)2 Supramolecular Cations |
Authors of publication | Tomoyuki Akutagawa; Kazumasa Matsuura; Asako Hashimoto; Takayoshi Nakamura |
Journal of publication | Inorganic Chemistry |
Year of publication | 2005 |
Journal volume | 44 |
Pages of publication | 4454 - 4456 |
a | 15.729 ± 0.003 Å |
b | 16.03 ± 0.003 Å |
c | 17.204 ± 0.005 Å |
α | 96.66 ± 0.01° |
β | 93.658 ± 0.001° |
γ | 118.535 ± 0.008° |
Cell volume | 3749.6 ± 1.5 Å3 |
Cell temperature | 100.1 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for significantly intense reflections | 0.053 |
Weighted residual factors for all reflections included in the refinement | 0.097 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.912 |
Diffraction radiation wavelength | 0.7107 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. |
4309115.cif |
120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309115.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309115.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' ) & |
4309115.cif |
1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309115.cif |
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