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Information card for entry 4070749
Preview
Coordinates | 4070749.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H48 Cl2 P2 Pd2 |
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Calculated formula | C40 H48 Cl2 P2 Pd2 |
SMILES | C1(=C(c2ccccc2)[Pd]2([P]1(C(C)C)C(C)C)[Cl][Pd]1(C(=C(c3ccccc3)[P]1(C(C)C)C(C)C)c1ccccc1)[Cl]2)c1ccccc1 |
Title of publication | Synthesis and Characterization of Novel Four-Membered Palladacycles |
Authors of publication | Yan, Xiaoyu; Xi, Chanjuan |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 1 |
Pages of publication | 152 |
a | 9.2167 ± 0.0003 Å |
b | 12.9557 ± 0.0005 Å |
c | 16.6165 ± 0.0006 Å |
α | 90° |
β | 95.89 ± 0.002° |
γ | 90° |
Cell volume | 1973.68 ± 0.12 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for significantly intense reflections | 0.0617 |
Weighted residual factors for significantly intense reflections | 0.1029 |
Weighted residual factors for all reflections included in the refinement | 0.1279 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178596 (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 4/07/07. |
4070749.cif |
120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070749.cif |
47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070749.cif |
42673 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070749 via cif-deposit CGI script. |
4070749.cif |
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Users of the data should acknowledge the original authors of the
structural data.