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Information card for entry 4114972
Preview
Coordinates | 4114972.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 5-Iodo-2,4,6,8,9,10-hexakis(tri-tert-butylsilyl)heptacyclo-[4.4.0.0^1,3^.0^2,5^.0^3,9^.0^4,7^.0^8,10^]decagerman-7-yliumtetrakis(2,3,5,6-tetrafluorophenyl)borate |
---|---|
Formula | C103 H174 B F16 Ge10 I Si6 |
Calculated formula | C103 H174 B F16 Ge10 I Si6 |
SMILES | I[Ge]12[Ge]3([Ge]456[Ge]1([Ge]174[Ge]2([Ge]351[Ge]1([Ge]6([Ge]71[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C.Fc1c(c(F)c(F)cc1F)[B-](c1c(F)c(F)cc(F)c1F)(c1c(F)c(F)cc(F)c1F)c1c(F)c(F)cc(F)c1F.Cc1ccccc1 |
Title of publication | The Cation Cluster of Heavier Group 14 Elements: A Free Germyl Cation with Trishomoaromaticity |
Authors of publication | Akira Sekiguchi; Yutaka Ishida; Yoshio Kabe; Masaaki Ichinohe |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 8776 - 8777 |
a | 15.661 ± 0.0012 Å |
b | 17.337 ± 0.0012 Å |
c | 23.302 ± 0.002 Å |
α | 87.001 ± 0.005° |
β | 87.703 ± 0.004° |
γ | 83.786 ± 0.004° |
Cell volume | 6277.3 ± 0.8 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1721 |
Residual factor for significantly intense reflections | 0.0839 |
Weighted residual factors for significantly intense reflections | 0.1898 |
Weighted residual factors for all reflections included in the refinement | 0.2377 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
211398 (current) | 2018-10-12 | cif/4/11/49/ Correcting the _chemical_name_systematic data item value in entry 4114972 by replacing the '<', '>' symbols with the '^' symbol. This is the preferred way of denoting superscript symbols in CIF files. |
4114972.cif |
178920 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/49. |
4114972.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114972.cif |
68356 | 2012-10-25 | cif/ Adding structures of 4114972 via cif-deposit CGI script. |
4114972.cif |
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