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Information card for entry 7004779
Preview
Coordinates | 7004779.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H38 Cl4 N2 O P2 Ru |
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Calculated formula | C48 H36 Cl4 N2 O P2 Ru |
Title of publication | Aerobic oxidation of C(sp3)‒H bonds of 4,5-diazafluorene promoted by coordination |
Authors of publication | Jiang, Huiling; Stepowska, Elzbieta; Song, Datong |
Journal of publication | Dalton Transactions |
Year of publication | 2008 |
Journal issue | 43 |
Pages of publication | 5879 - 5881 |
a | 14.1185 ± 0.0005 Å |
b | 10.485 ± 0.0004 Å |
c | 29.4109 ± 0.001 Å |
α | 90° |
β | 103.404 ± 0.002° |
γ | 90° |
Cell volume | 4235.2 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
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 | 0.1091 |
Residual factor for significantly intense reflections | 0.0652 |
Weighted residual factors for significantly intense reflections | 0.174 |
Weighted residual factors for all reflections included in the refinement | 0.2085 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179751 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/47. |
7004779.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7004779.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7004779.cif |
1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7004779.cif |
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Users of the data should acknowledge the original authors of the
structural data.