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Information card for entry 4341603
Preview
Coordinates | 4341603.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C7 H18 B11 N O |
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Calculated formula | C7 H18 B11 N O |
SMILES | O(c1cc[n+](cc1)[BH]1234[BH]567[BH]891[BH]1%10%11[CH]%12%13%14[BH]%15%16%10[BH]281[BH]14%16[BH]235[BH]7%13([BH]69%11%12)[BH]%14%1512)C |
Title of publication | Synthesis and Characterization of 12-Pyridinium Derivatives of the [closo-1-CB11H12](-) Anion. |
Authors of publication | Pecyna, Jacek; Ringstrand, Bryan; Domagała, Sławomir; Kaszyński, Piotr; Woźniak, Krzysztof |
Journal of publication | Inorganic chemistry |
Year of publication | 2014 |
Pages of publication | 141113084747009 |
a | 7.89037 ± 0.00014 Å |
b | 10.47959 ± 0.00019 Å |
c | 17.1104 ± 0.0003 Å |
α | 90° |
β | 91.5207 ± 0.0017° |
γ | 90° |
Cell volume | 1414.32 ± 0.04 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0513 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for significantly intense reflections | 0.1076 |
Weighted residual factors for all reflections included in the refinement | 0.1149 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
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/4341603.html
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Users of the data should acknowledge the original authors of the
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