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Information card for entry 1550266
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Coordinates | 1550266.cif |
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Original paper (by DOI) | HTML |
Formula | C72 H36 Cu1.5 N6 O26 Zr6 |
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Calculated formula | C72 H36 Cu1.5 N6 O26 Zr6 |
Title of publication | A Concentrated Array of Copper Porphyrin Candidate Qubits |
Authors of publication | Yu, Chung Jui; Krzyaniak, Matthew D.; Fataftah, Majed S.; Wasielewski, Michael R.; Freedman, Danna |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 38.452 ± 0.0007 Å |
b | 38.452 ± 0.0007 Å |
c | 38.452 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 56853.4 ± 1.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 229 |
Hermann-Mauguin space group symbol | I m -3 m |
Hall space group symbol | -I 4 2 3 |
Residual factor for all reflections | 0.122 |
Residual factor for significantly intense reflections | 0.1075 |
Weighted residual factors for significantly intense reflections | 0.3322 |
Weighted residual factors for all reflections included in the refinement | 0.3549 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.487 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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212090 (current) | 2018-11-22 | cif/ Adding structures of 1550266 via cif-deposit CGI script. |
1550266.cif |
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