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Information card for entry 4303976
Preview
Coordinates | 4303976.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H30 Hf N8 O4 |
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Calculated formula | C44 H30 Hf N8 O4 |
SMILES | C1(=c2ccc3=C(c4ccncc4)c4ccc5=C(c6ccc7n6[Hf]68(n23)([O]=C(C)O6)([n]2c(=C7c3ccncc3)ccc12)([n]45)[O]=C(O8)C)c1ccncc1)c1ccncc1 |
Title of publication | Routes to New Hafnium(IV) Tetraaryl Porphyrins and Crystal Structures of Unusual Phosphate-, Sulfate-, and Peroxide-Bridged Dimers |
Authors of publication | Alexander Falber; Louis Todaro; Israel Goldberg; Michael V. Favilla; Charles Michael Drain |
Journal of publication | Inorganic Chemistry |
Year of publication | 2008 |
Journal volume | 47 |
Pages of publication | 454 - 467 |
a | 14.797 ± 0.003 Å |
b | 16.384 ± 0.003 Å |
c | 14.984 ± 0.003 Å |
α | 90° |
β | 93.24 ± 0.03° |
γ | 90° |
Cell volume | 3626.8 ± 1.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0464 |
Residual factor for significantly intense reflections | 0.0341 |
Weighted residual factors for significantly intense reflections | 0.0643 |
Weighted residual factors for all reflections included in the refinement | 0.0685 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4303976.html
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