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Information card for entry 4329196
Preview
Coordinates | 4329196.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H52 Cl6 N4 P2 U |
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Calculated formula | C56 H52 Cl6 N4 P2 U |
SMILES | c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.N#CC.N#CC.[U](Cl)(Cl)(Cl)(Cl)([Cl-])[Cl-].c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.N#CC.N#CC |
Title of publication | Synthesis and Structure of (Ph4P)2MCl6 (M = Ti, Zr, Hf, Th, U, Np, Pu) |
Authors of publication | Stefan G. Minasian; Kevin S. Boland; Russell K. Feller; Andrew J. Gaunt; Stosh A. Kozimor; Iain May; Sean D. Reilly; Brian L. Scott; David K. Shuh |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 5728 - 5736 |
a | 9.5987 ± 0.0011 Å |
b | 19.413 ± 0.002 Å |
c | 15.0841 ± 0.0017 Å |
α | 90° |
β | 98.085 ± 0.001° |
γ | 90° |
Cell volume | 2782.8 ± 0.5 Å3 |
Cell temperature | 120 ± 1 K |
Ambient diffraction temperature | 120 ± 1 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 | 0.0275 |
Residual factor for significantly intense reflections | 0.0202 |
Weighted residual factors for significantly intense reflections | 0.0526 |
Weighted residual factors for all reflections included in the refinement | 0.0564 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179394 (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 4/32/91. |
4329196.cif |
78236 | 2013-04-01 | cif/ Adding structures of 4329196 via cif-deposit CGI script. |
4329196.cif |
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Users of the data should acknowledge the original authors of the
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