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Information card for entry 4309907
Preview
| Coordinates | 4309907.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H60 Co2 Fe4 N8 S8 |
|---|---|
| Calculated formula | C68 H60 Co2 Fe4 N8 S8 |
| SMILES | [Co]123([S]([Co]45(SC(=C(S4)C#N)C#N)SC(=C([S]35)C#N)C#N)C(=C(S1)C#N)C#N)SC(=C(S2)C#N)C#N.[Fe]12345678([cH]9[cH]5[cH]3[cH]6[c]79C(C)C)[cH]3[c]1([c]15[cH]6[Fe]79%10%11%12%131([cH]5[cH]%13[cH]67)[cH]1[cH]%11[cH]%10[c]9([cH]%121)C(C)C)[cH]8[cH]2[cH]43.[Fe]12345678([cH]9[cH]5[cH]3[cH]6[c]79C(C)C)[cH]3[c]1([c]15[cH]6[Fe]79%10%11%12%131([cH]5[cH]%13[cH]67)[cH]1[cH]%11[cH]%10[c]9([cH]%121)C(C)C)[cH]8[cH]2[cH]43 |
| Title of publication | Biferrocene-M(mnt)2 Charge-Transfer Complexes (M = Ni, Co; mnt = Maleonitriledithiolate). Structure, Valence States, and Magnetic Properties |
| Authors of publication | Tomoyuki Mochida; Kousuke Takazawa; Hideaki Matsui; Masashi Takahashi; Masuo Takeda; Michiko Sato; Yutaka Nishio; Koji Kajita; Hatsumi Mori |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 8628 - 8641 |
| a | 13.301 ± 0.004 Å |
| b | 14.159 ± 0.004 Å |
| c | 19.387 ± 0.006 Å |
| α | 106.709 ± 0.004° |
| β | 103.572 ± 0.002° |
| γ | 98.124 ± 0.003° |
| Cell volume | 3312.7 ± 1.7 Å3 |
| Cell temperature | 90 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for all reflections included in the refinement | 0.106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255805 (current) | 2020-09-02 | cif/4 Fixing Z values and formulae |
4309907.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4309907.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309907.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309907.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). |
4309907.cif |
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Users of the data should acknowledge the original authors of the
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