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Information card for entry 1100753
Preview
Coordinates | 1100753.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C92 H118 Cl2 F12 N16 O9 Pt2 Sb2 |
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Calculated formula | C92 H118 Cl2 F12 N16 O9 Pt2 Sb2 |
SMILES | c1cccc2c3cc(cc4c5cccc[n]5[Pt](Cl)([n]12)[n]34)c1cc2c(cc1)CCc1c2nc2c(c1c1cc(cc(c1)C(C)(C)C)C(C)(C)C)CCc1c2cc(cc1)c1cc2c3cccc[n]3[Pt]3(Cl)[n]4c(cccc4)c(c1)[n]23.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.[F-][Sb](F)(F)(F)(F)F.F[Sb](F)(F)(F)(F)[F-] |
Title of publication | Supramolecular Recognition Forces: An Examination of Weak Metal-Metal Interactions in Host-Guest Formation |
Authors of publication | James D. Crowley; Ian M. Steele; B. Bosnich |
Journal of publication | Inorganic Chemistry |
Year of publication | 2005 |
Journal volume | 44 |
Pages of publication | 2989 - 2991 |
a | 13.9 ± 0.04 Å |
b | 18.83 ± 0.05 Å |
c | 19.15 ± 0.05 Å |
α | 91.11 ± 0.05° |
β | 93.27 ± 0.05° |
γ | 90.39 ± 0.05° |
Cell volume | 5003 ± 2 Å3 |
Cell temperature | 108 ± 2 K |
Ambient diffraction temperature | 108 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0793 |
Residual factor for significantly intense reflections | 0.0678 |
Weighted residual factors for significantly intense reflections | 0.1767 |
Weighted residual factors for all reflections included in the refinement | 0.183 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1100753.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1100753.cif |
35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1100753.cif |
1523 | 2010-09-25 | cif/{1,4} Updating unambiguously identified Inorg. Chem. 2005 structures from the recent Web deposition. Corrdinates of the sructures are not changed, only the bibliograpy and crystallographic information has been updated. |
1100753.cif |
966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
1100753.cif |
19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
1100753.cif |
14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1100753.cif |
13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
1100753.cif |
1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
1100753.cif |
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Users of the data should acknowledge the original authors of the
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