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Information card for entry 4321642
Preview
Coordinates | 4321642.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C5 H9 B11 Br5 Cs I6 O |
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Calculated formula | C5 H9 B11 Br5 Cs I6 O |
Title of publication | Weakly Coordinating Nature of a Carborane Cage Bearing Different Halogen Atoms. Synthesis and Structural Characterization of Icosahedral Mixed Halocarborane Anions, 1-H-CB11Y5X6- (X, Y = Cl, Br, I) |
Authors of publication | Chi-Wing Tsang; Qingchuan Yang; Eric Tung-Po Sze; Thomas C. W. Mak; Dominic T. W. Chan; Zuowei Xie |
Journal of publication | Inorganic Chemistry |
Year of publication | 2000 |
Journal volume | 39 |
Pages of publication | 5851 - 5858 |
a | 19.736 ± 0.016 Å |
b | 11.319 ± 0.004 Å |
c | 13.804 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3084 ± 3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0614 |
Residual factor for significantly intense reflections | 0.0389 |
Weighted residual factors for significantly intense reflections | 0.0859 |
Weighted residual factors for all reflections included in the refinement | 0.0941 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179319 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/16. |
4321642.cif |
120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4321642.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4321642.cif |
19406 | 2011-05-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4321642 via cif-deposit CGI script. |
4321642.cif |
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Users of the data should acknowledge the original authors of the
structural data.