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Information card for entry 4312988
Preview
Coordinates | 4312988.cif |
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Original paper (by DOI) | HTML |
Formula | C43 H34 N4 Ni O2 |
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Calculated formula | C43 H34 N4 Ni O2 |
SMILES | [Ni]123[N](C(=O)C[N]3=C(c3ccccc3)c3ccccc3)c3c(N2C(=O)[C@@H]([N]1=C(c1ccccc1)c1ccccc1)Cc1ccccc1)cccc3 |
Title of publication | Optically Active 4- and 5-Coordinate Transition Metal Complexes of Bifurcated Dipeptide Schiff Bases |
Authors of publication | Robin Polt; Brian D. Kelly; Brian D. Dangel; Udaya Bhaskar Tadikonda; Regina E. Ross; Arnold M. Raitsimring; Andrei V. Astashkin |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 566 - 574 |
a | 9.3318 ± 0.0007 Å |
b | 15.6129 ± 0.0012 Å |
c | 23.324 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3398.2 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1002 |
Residual factor for significantly intense reflections | 0.0457 |
Weighted residual factors for significantly intense reflections | 0.0654 |
Weighted residual factors for all reflections included in the refinement | 0.0758 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.808 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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