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Information card for entry 4309977
Preview
Coordinates | 4309977.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Common name | S4ligand |
---|---|
Formula | C73 H131 Cl3 S4 Si12 |
Calculated formula | C73 H131 Cl3 S4 Si12 |
SMILES | S(c1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)c1ccccc1Sc1ccccc1Sc1ccccc1Sc1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C.C(Cl)(Cl)Cl |
Title of publication | Synthesis and Structure of a Distorted Octahedral Palladium(II) Complex Coordinated with a Tetrathioether Ligand Tethered with Bulky Substituents |
Authors of publication | Nobuhiro Takeda; Daisuke Shimizu; Norihiro Tokitoh |
Journal of publication | Inorganic Chemistry |
Year of publication | 2005 |
Journal volume | 44 |
Pages of publication | 8561 - 8568 |
a | 14.0803 ± 0.0006 Å |
b | 16.5775 ± 0.0007 Å |
c | 19.9887 ± 0.0009 Å |
α | 90° |
β | 90.613 ± 0.003° |
γ | 90° |
Cell volume | 4665.4 ± 0.3 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.093 |
Residual factor for significantly intense reflections | 0.0636 |
Weighted residual factors for significantly intense reflections | 0.154 |
Weighted residual factors for all reflections included in the refinement | 0.1757 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4309977.cif |
179137 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/99. |
4309977.cif |
120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309977.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309977.cif |
1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309977.cif |
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Users of the data should acknowledge the original authors of the
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