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Information card for entry 4338674
Preview
Coordinates | 4338674.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H45 Cl2 Fe N P2 |
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Calculated formula | C20 H45 Cl2 Fe N P2 |
SMILES | [Fe]12(Cl)(Cl)[P](CC[NH]2CC[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C |
Title of publication | Flexible Binding of PNP Pincer Ligands to Monomeric Iron Complexes. |
Authors of publication | Fillman, Kathlyn L.; Bielinski, Elizabeth A.; Schmeier, Timothy J.; Nesvet, Jared C.; Woodruff, Tessa M.; Pan, Cassie J.; Takase, Michael K.; Hazari, Nilay; Neidig, Michael L. |
Journal of publication | Inorganic chemistry |
Year of publication | 2014 |
Journal volume | 53 |
Journal issue | 12 |
Pages of publication | 6066 - 6072 |
a | 7.06003 ± 0.00017 Å |
b | 14.9363 ± 0.0005 Å |
c | 12.5084 ± 0.0009 Å |
α | 90° |
β | 91.448 ± 0.006° |
γ | 90° |
Cell volume | 1318.6 ± 0.11 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for all reflections included in the refinement | 0.1187 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4338674.cif |
119109 | 2014-07-05 | cif/ Updating files of 4338672, 4338673, 4338674 Original log message: Adding full bibliography for 4338672--4338674.cif. |
4338674.cif |
114970 | 2014-05-31 | cif/ Adding structures of 4338672, 4338673, 4338674 via cif-deposit CGI script. |
4338674.cif |
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Users of the data should acknowledge the original authors of the
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