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Information card for entry 4316471
Preview
Coordinates | 4316471.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H29 N2 Y |
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Calculated formula | C22 H29 N2 Y |
SMILES | [Y]123456789%10%11%12([N](C(C)C)=C=NC(C)C)([cH]%13[cH]9[cH]%10[cH]2[cH]1%13)([cH]1[cH]6[cH]5[cH]4[cH]31)[cH]1[cH]%11[cH]%12[cH]8[cH]71 |
Title of publication | A New Strategy for Ring Modification of Metallocenes: Carbodiimide Insertion into the η5-Y-C5H5 Bond and Subsequent Isomerization |
Authors of publication | Chengfu Pi; Xiaoqing Li; Lili Zhang; Ruiting Liu; Linhong Weng; Xigeng Zhou |
Journal of publication | Inorganic Chemistry |
Year of publication | 2010 |
Journal volume | 49 |
Pages of publication | 7632 - 7634 |
a | 8.392 ± 0.009 Å |
b | 10.643 ± 0.012 Å |
c | 12.394 ± 0.014 Å |
α | 92.301 ± 0.015° |
β | 102.283 ± 0.015° |
γ | 107.941 ± 0.014° |
Cell volume | 1022 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1061 |
Residual factor for significantly intense reflections | 0.074 |
Weighted residual factors for significantly intense reflections | 0.1752 |
Weighted residual factors for all reflections included in the refinement | 0.1894 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179244 (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 4/31/64. |
4316471.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4316471.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4316471.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' ) & |
4316471.cif |
9669 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4316471 via cif-deposit CGI script. |
4316471.cif |
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