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Information card for entry 4312932
Preview
Coordinates | 4312932.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H42 Br2 N2 Ni P2 |
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Calculated formula | C44 H42 Br2 N2 Ni P2 |
SMILES | [Ni]1(Br)(Br)[P](C2N=C3C(N(C=2[P]1(c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C)(C=C(C=C3C)C)C)(c1ccccc1)c1ccccc1 |
Title of publication | Metal Complexes with 2,3-Bis(diphenylphosphino)-1,4-diazadiene Ligands: Synthesis, Structures, and an Intramolecular Metal-Mediated [4 + 2] Cycloaddition Employing a Benzene Ring as a Dienophile |
Authors of publication | Dirk Walther; Stefan Liesicke; Lars Böttcher; Reinald Fischer; Helmar Görls; Gavin Vaughan |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 625 - 632 |
a | 20.36 ± 0.0003 Å |
b | 11.098 ± 0.0001 Å |
c | 17.9282 ± 0.0002 Å |
α | 90° |
β | 108.304 ± 0.001° |
γ | 90° |
Cell volume | 3846.01 ± 0.08 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0186 |
Residual factor for significantly intense reflections | 0.0184 |
Weighted residual factors for significantly intense reflections | 0.0498 |
Weighted residual factors for all reflections included in the refinement | 0.05 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
Diffraction radiation wavelength | 0.45085 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4312932.html
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