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Information card for entry 4337952
Preview
Coordinates | 4337952.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C114 H130 Cl6 N16 S8 Y |
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Calculated formula | C114 H130 Cl6 N16 S8 Y |
Title of publication | ABAB Homoleptic Bis(phthalocyaninato)lanthanide(III) Complexes: Original Octupolar Design Leading to Giant Quadratic Hyperpolarizability. |
Authors of publication | Ayhan, Mehmet Menaf; Singh, Anu; Jeanneau, Erwann; Ahsen, Vefa; Zyss, Joseph; Ledoux-Rak, Isabelle; Gürek, Ayşe Gül; Hirel, Catherine; Bretonnière, Yann; Andraud, Chantal |
Journal of publication | Inorganic chemistry |
Year of publication | 2014 |
Journal volume | 53 |
Journal issue | 9 |
Pages of publication | 4359 - 4370 |
a | 23.186 ± 0.001 Å |
b | 29.276 ± 0.002 Å |
c | 32.081 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 21776 ± 2 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 70 |
Hermann-Mauguin space group symbol | F d d d :2 |
Hall space group symbol | -F 2uv 2vw |
Residual factor for all reflections | 0.0976 |
Residual factor for significantly intense reflections | 0.0788 |
Weighted residual factors for all reflections | 0.2229 |
Weighted residual factors for significantly intense reflections | 0.1739 |
Weighted residual factors for all reflections included in the refinement | 0.2229 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9887 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4337952.html
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