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Information card for entry 7021999
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Coordinates | 7021999.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H34 N2 Ni P2 |
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Calculated formula | C32 H34 N2 Ni P2 |
SMILES | [Ni]123[P](CC[N]2=C(C)C(=[N]3CC[P]1(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1 |
Title of publication | Importance of co-donor field strength in the preparation of tetradentate α-diimine nickel hydrosilylation catalysts. |
Authors of publication | Porter, Tyler M.; Hall, Gabriel B.; Groy, Thomas L.; Trovitch, Ryan J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 41 |
Pages of publication | 14689 - 14692 |
a | 11.2266 ± 0.001 Å |
b | 11.408 ± 0.001 Å |
c | 12.5302 ± 0.0011 Å |
α | 65.046 ± 0.001° |
β | 75.784 ± 0.002° |
γ | 89.781 ± 0.002° |
Cell volume | 1401.3 ± 0.2 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0695 |
Residual factor for significantly intense reflections | 0.0484 |
Weighted residual factors for significantly intense reflections | 0.096 |
Weighted residual factors for all reflections included in the refinement | 0.1064 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179924 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/19. |
7021999.cif |
88923 | 2013-10-09 | cif/ Adding structures of 7021999, 7022000, 7022001 via cif-deposit CGI script. |
7021999.cif |
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Users of the data should acknowledge the original authors of the
structural data.