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Information card for entry 7001755
Preview
Coordinates | 7001755.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H78 K2 N2 O2 P2 Si4 |
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Calculated formula | C48 H78 K2 N2 O2 P2 Si4 |
SMILES | [K]12P(=C([Si](C)(C)C)[Si](C)(C)C)(c3ccccc3C[N]1(C)C)c1ccccc1C[O]2C |
Title of publication | Mixed donor-functionalised phosphinomethanide complexes of the alkali metals; synthesis, structures, and solution dynamics |
Authors of publication | Wills, Corinne; Izod, Keith; Young, Jonathan; Clegg, William; Harrington, Ross W. |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 31 |
Pages of publication | 6159 |
a | 9.8748 ± 0.0015 Å |
b | 10.9613 ± 0.0019 Å |
c | 14.189 ± 0.004 Å |
α | 86.361 ± 0.018° |
β | 88.243 ± 0.018° |
γ | 66.81 ± 0.02° |
Cell volume | 1408.9 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 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 | 0.0933 |
Residual factor for significantly intense reflections | 0.0508 |
Weighted residual factors for significantly intense reflections | 0.096 |
Weighted residual factors for all reflections included in the refinement | 0.1077 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179715 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/17. |
7001755.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001755.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001755.cif |
1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001755.cif |
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Users of the data should acknowledge the original authors of the
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