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Information card for entry 1567804
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Coordinates | 1567804.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H54 N6 |
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Calculated formula | C32 H54 N6 |
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 | 8.4164 ± 0.0004 Å |
b | 9.9098 ± 0.0003 Å |
c | 10.3761 ± 0.0004 Å |
α | 101.12 ± 0.003° |
β | 111.201 ± 0.004° |
γ | 93.802 ± 0.003° |
Cell volume | 782.89 ± 0.06 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120.15 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0518 |
Residual factor for significantly intense reflections | 0.0441 |
Weighted residual factors for significantly intense reflections | 0.1144 |
Weighted residual factors for all reflections included in the refinement | 0.1189 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
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/1567804.html
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Users of the data should acknowledge the original authors of the
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