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Information card for entry 7015652
Preview
Coordinates | 7015652.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H10 B10 F14 |
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Calculated formula | C16 H10 B10 F14 |
SMILES | [C]1234([C]567([BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121)c1c(F)c(F)c(c(F)c1F)C(F)(F)F)c1c(F)c(F)c(c(F)c1F)C(F)(F)F |
Title of publication | Spectroscopic, structural, computational and (spectro)electrochemical studies of icosahedral carboranes bearing fluorinated aryl groups. |
Authors of publication | Tricas, Hugo; Colon, Marta; Ellis, David; Macgregor, Stuart A.; McKay, David; Rosair, Georgina M.; Welch, Alan J.; Glukhov, Ivan V.; Rossi, Fulvio; Laschi, Franco; Zanello, Piero |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 16 |
Pages of publication | 4200 - 4211 |
a | 10.8344 ± 0.0014 Å |
b | 27.098 ± 0.003 Å |
c | 14.8774 ± 0.0019 Å |
α | 90° |
β | 91.132 ± 0.007° |
γ | 90° |
Cell volume | 4367 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1009 |
Residual factor for significantly intense reflections | 0.0827 |
Weighted residual factors for significantly intense reflections | 0.2709 |
Weighted residual factors for all reflections included in the refinement | 0.284 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179860 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/56. |
7015652.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015652.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015652.cif |
21213 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015647, 7015648, 7015649, 7015650, 7015651, 7015652, 7015653, 7015654 via cif-deposit CGI script. |
7015652.cif |
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