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Information card for entry 4060019
Preview
Coordinates | 4060019.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H15 Br N O4 P2 Re |
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Calculated formula | C13 H15 Br N O4 P2 Re |
Title of publication | Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^ |
Authors of publication | Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2005 |
Journal volume | 127 |
Journal issue | 1 |
Pages of publication | 331 - 336 |
a | 6.5297 ± 0.0004 Å |
b | 13.6202 ± 0.0009 Å |
c | 19.8064 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1761.5 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0301 |
Residual factor for significantly intense reflections | 0.0273 |
Weighted residual factors for significantly intense reflections | 0.0651 |
Weighted residual factors for all reflections included in the refinement | 0.0662 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
277847 (current) | 2022-09-15 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
4060019.cif |
270066 | 2021-10-23 | cif/4/06/00/ Updated bibliographic information in entries 4060017-4060019. |
4060019.cif |
120119 | 2014-07-12 | Adding DOIs for range 4/06 structures | 4060019.cif |
62980 | 2012-07-13 | cif/4 Fixing the bibliographic data in a set of files published in the JACS but que apperead as published in Organometallics. |
4060019.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4060019.cif |
966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4060019.cif |
19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4060019.cif |
14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4060019.cif |
13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4060019.cif |
1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4060019.cif |
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Users of the data should acknowledge the original authors of the
structural data.