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Information card for entry 4070616
Preview
Coordinates | 4070616.cif |
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Original paper (by DOI) | HTML |
Formula | C48 H40 N12 O12 Re4 |
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Calculated formula | C48 H40 N12 O12 Re4 |
Title of publication | Unprecedented Reduction of 2,2′-Bipyrimidine in a One-Pot Synthesis of Neutral Rhenium(I)-Based Molecular Rectangles |
Authors of publication | Wu, Jing-Yun; Thanasekaran, P.; Cheng, Yi-Wei; Lee, Chung-Chou; Manimaran, B.; Rajendran, T.; Liao, Rong-Tang; Lee, Gene-Hsiang; Peng, Shie-Ming; Lu, Kuang-Lieh |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 9 |
Pages of publication | 2141 |
a | 9.9044 ± 0.0005 Å |
b | 15.6627 ± 0.0008 Å |
c | 17.5653 ± 0.0009 Å |
α | 90° |
β | 103.424 ± 0.001° |
γ | 90° |
Cell volume | 2650.5 ± 0.2 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0891 |
Residual factor for significantly intense reflections | 0.0649 |
Weighted residual factors for significantly intense reflections | 0.128 |
Weighted residual factors for all reflections included in the refinement | 0.1376 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.188 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178595 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/06. |
4070616.cif |
120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070616.cif |
47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070616.cif |
42594 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070616 via cif-deposit CGI script. |
4070616.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.