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Information card for entry 4308359
Preview
| Coordinates | 4308359.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 04216 |
|---|---|
| Formula | C36 H30 Fe N2 O2 |
| Calculated formula | C36 H30 Fe N2 O2 |
| SMILES | [Fe]12345678([c]9%10cccc[c]4%10[c]3([c]2([c]19C)C)C)[c]12cccc[c]82[c]7([c]6([c]51C)C)C.O=C1C(=C(C(=O)c2ccccc12)C#N)C#N |
| Title of publication | Bis(1,2,3-trimethylindenyl)iron(III) 2,3-Dicyanonaphtho-1,4-quinonide, a Non-Metallocene, Charge-Transfer Salt Metamagnet with Complementary Donor‒Acceptor Geometries |
| Authors of publication | Crisp, Jeffrey A.; Meredith, M. Brett; Hanusa, Timothy P.; Wang, Guangbin; Brennessel, William W.; Yee, Gordon T. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Journal issue | 2 |
| Pages of publication | 172 - 174 |
| a | 17.02 ± 0.001 Å |
| b | 15.989 ± 0.001 Å |
| c | 20.364 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5541.7 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1472 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1174 |
| Weighted residual factors for all reflections included in the refinement | 0.1664 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210156 (current) | 2018-08-26 | cif/4/30/ Updating bibliography in entries 4300811, 4308359. Marking entry 4300811 as a duplicate of entry 4308359. |
4308359.cif |
| 179121 | 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 4/30/83. |
4308359.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308359.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308359.cif |
| 32063 | 2012-01-26 | cif/4 Correction of volume and publication year for files coming from a couple of issues of Inorg. Chem. The mistake was made when fetching bibliography for these entries and detected just now. I have checked that all other Inorg. Chem. files are correct. |
4308359.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). |
4308359.cif |
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