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Information card for entry 4335491
Preview
Coordinates | 4335491.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H44 F6 N Ni O6 P3 |
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Calculated formula | C35 H44 F6 N Ni O6 P3 |
SMILES | [Ni]1([P](CC(C[P]1(c1ccccc1OC)c1ccccc1OC)(C)C)(c1ccccc1OC)c1ccccc1OC)(OC(=O)C)[NH3].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Homogeneous Hydrogenation and Isomerization of 1-Octene Catalyzed by Nickel(II) Complexes with Bidentate Diarylphosphane Ligands |
Authors of publication | Tiddo J. Mooibroek; Erica C. M. Wenker; Wietse Smit; Ilpo Mutikainen; Martin Lutz; Elisabeth Bouwman |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 8190 - 8201 |
a | 12.8383 ± 0.0003 Å |
b | 13.1291 ± 0.0003 Å |
c | 13.6642 ± 0.0003 Å |
α | 67.872 ± 0.001° |
β | 63.753 ± 0.001° |
γ | 78.577 ± 0.001° |
Cell volume | 1912.18 ± 0.08 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0293 |
Residual factor for significantly intense reflections | 0.0255 |
Weighted residual factors for significantly intense reflections | 0.0643 |
Weighted residual factors for all reflections included in the refinement | 0.0664 |
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 |
---|---|---|---|
179457 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/54. |
4335491.cif |
101421 | 2014-02-13 | cif/ Adding structures of 4335491 via cif-deposit CGI script. |
4335491.cif |
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Users of the data should acknowledge the original authors of the
structural data.