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Information card for entry 4106958
Preview
Coordinates | 4106958.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H37 B18 Co N P Se |
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Calculated formula | C14 H37 B18 Co N P Se |
SMILES | [Co]123456789%10[P](=[Se])([C]%11%12%131[CH]1%144[BH]4%15%13[BH]%13%16%12[BH]%126%11[BH]6%119[BH]971[BH]1%14%15[BH]74%16[BH]%13%126[BH]%11917)([C]1462[CH]273[BH]396[BH]6%114[BH]451[BH]15%10[BH]%1082[BH]279[BH]73%11[BH]641[BH]5%1027)c1ccccc1.[N+](C)(C)(C)C |
Title of publication | Relaxed but Highly Compact Diansa Metallacyclophanes |
Authors of publication | Pau Farràs; Francesc Teixidor; Isabel Rojo; Raikko Kivekäs; Reijo Sillanpää; Patricia González-Cardoso; Clara Viñas |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 16537 - 16552 |
a | 10.436 ± 0.0003 Å |
b | 11.2927 ± 0.0003 Å |
c | 23.4638 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2765.22 ± 0.14 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P 21 n b |
Hall space group symbol | P -2bc 2a |
Residual factor for all reflections | 0.0713 |
Residual factor for significantly intense reflections | 0.053 |
Weighted residual factors for significantly intense reflections | 0.0993 |
Weighted residual factors for all reflections included in the refinement | 0.1043 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
Diffraction radiation probe | x-ray |
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/4106958.html
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Users of the data should acknowledge the original authors of the
structural data.