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Information card for entry 7021437
Preview
Coordinates | 7021437.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H47 B9 Cl2 Cu P3 |
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Calculated formula | C45 H47 B9 Cl2 Cu P3 |
SMILES | [Cu]1([P]([C]234[C]56([P]1(c1ccccc1)c1ccccc1)[BH]17[BH2]89[BH]%102[BH]2%119[BH]978[BH]761[BH]135[BH]4%102[BH]%11971)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl |
Title of publication | Influence of the group 11 metal on the emissive properties of complexes [M{(PR2)2C2B9H10}L]. |
Authors of publication | Crespo, Olga; Díez-Gil, César; Gimeno, M Concepción; Jones, Peter G.; Laguna, Antonio; Ospino, Isaura; Tapias, Jorge; Villacampa, M. Dolores; Visbal, Renso |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 23 |
Pages of publication | 8298 - 8306 |
a | 17.0593 ± 0.0014 Å |
b | 20.6703 ± 0.0016 Å |
c | 13.3203 ± 0.0011 Å |
α | 90° |
β | 102.592 ± 0.004° |
γ | 90° |
Cell volume | 4584 ± 0.6 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0655 |
Residual factor for significantly intense reflections | 0.036 |
Weighted residual factors for significantly intense reflections | 0.0929 |
Weighted residual factors for all reflections included in the refinement | 0.1029 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179919 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/14. |
7021437.cif |
86941 | 2013-07-12 | cif/ Adding structures of 7021437, 7021438, 7021439 via cif-deposit CGI script. |
7021437.cif |
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Users of the data should acknowledge the original authors of the
structural data.