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Information card for entry 7709402
Preview
Coordinates | 7709402.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H36 Cu F6 N8 P |
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Calculated formula | C42 H36 Cu F6 N8 P |
Title of publication | Near-infrared emitting copper(i) complexes with a pyrazolylpyrimidine ligand: exploring relaxation pathways |
Authors of publication | Shekhovtsov, Nikita A.; Kokina, Tatyana E.; Vinogradova, Katerina A.; Panarin, Andrey Y.; Rakhmanova, Marianna I.; Naumov, Dmitry Y.; Pervukhina, Natalya V.; Nikolaenkova, Elena B.; Krivopalov, Viktor P.; Czerwieniec, Rafał; Bushuev, Mark B. |
Journal of publication | Dalton Transactions |
Year of publication | 2022 |
a | 14.2146 ± 0.0002 Å |
b | 18.7121 ± 0.0002 Å |
c | 15.2367 ± 0.0003 Å |
α | 90° |
β | 113.076 ± 0.002° |
γ | 90° |
Cell volume | 3728.46 ± 0.11 Å3 |
Cell temperature | 123 ± 0.1 K |
Ambient diffraction temperature | 123 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.0313 |
Residual factor for significantly intense reflections | 0.0296 |
Weighted residual factors for significantly intense reflections | 0.08 |
Weighted residual factors for all reflections included in the refinement | 0.0815 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7709402.html
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