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Information card for entry 1567803
Preview
Coordinates | 1567803.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H58 F6 N6 O6 S2 |
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Calculated formula | C34 H58 F6 N6 O6 S2 |
Title of publication | A bis-NHC–CAAC dimer derived dicationic diradical |
Authors of publication | Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul |
Journal of publication | Chemical Science |
Year of publication | 2022 |
Journal volume | 13 |
Journal issue | 42 |
Pages of publication | 12533 - 12539 |
a | 9.4465 ± 0.0005 Å |
b | 20.428 ± 0.0008 Å |
c | 11.45 ± 0.0007 Å |
α | 90° |
β | 112.936 ± 0.007° |
γ | 90° |
Cell volume | 2034.9 ± 0.2 Å3 |
Cell temperature | 127 ± 2 K |
Ambient diffraction temperature | 127.15 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0487 |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for significantly intense reflections | 0.1081 |
Weighted residual factors for all reflections included in the refinement | 0.1127 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 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/1567803.html
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Users of the data should acknowledge the original authors of the
structural data.