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Information card for entry 7031242
Preview
Coordinates | 7031242.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H30 N4 Zn |
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Calculated formula | C28 H30 N4 Zn |
SMILES | [Zn]123[n]4c5C(c6[n]1c(=Cc1n2c(C(CC)(c2n3c(cc2)C=c4cc5)CC)cc1)cc6)(CC)CC |
Title of publication | Exploring anagostic interactions in 5,15-porphodimethene metal complexes. |
Authors of publication | Derry Holaday, M. G.; Tarafdar, Gourav; Kumar, Arun; Reddy, M. L. P.; Srinivasan, A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 21 |
Pages of publication | 7699 - 7703 |
a | 12.1113 ± 0.0005 Å |
b | 12.3679 ± 0.0006 Å |
c | 16.5343 ± 0.0007 Å |
α | 90.498 ± 0.003° |
β | 103.219 ± 0.003° |
γ | 103.893 ± 0.003° |
Cell volume | 2335.23 ± 0.18 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0994 |
Residual factor for significantly intense reflections | 0.0758 |
Weighted residual factors for significantly intense reflections | 0.2315 |
Weighted residual factors for all reflections included in the refinement | 0.2463 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7031242.html
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